From ab2f52d0985ccddf4d1141c5ce01f536cfa681a6 Mon Sep 17 00:00:00 2001 From: Han Wang Date: Fri, 15 May 2026 11:00:04 +0800 Subject: [PATCH 1/3] test(infer): swap se_e2_a fixture to deeppot_sea (type_one_side=True) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit The se_e2_a fixture used deeppot.yaml with type_one_side=False, which hits a data-dependent symbolic-int guard in make_fx when pt_expt tries to export the ndim=2 NetworkCollection. As a result the .pte and .pt2 cases of TestDeepPot_se_e2_a were skipped, leaving the dp convert-backend → .pte/.pt2 path uncovered for a plain se_e2_a model. Repoint the existing deeppot-testcase.yaml at deeppot_sea.yaml (which uses type_one_side=True), regenerate reference values for the three result blocks (PBC, NoPBC, big-box) from deeppot_sea.pth, and refresh the model_def_script / descriptor / fit_ll references so test_model_script_def, test_descriptor, and test_fitting_last_layer still pin meaningful values. With this in place, dp convert-backend deeppot_sea.yaml → .pb / .pth / .pte / .pt2 is exercised end-to-end by TestDeepPot_se_e2_a_. The standalone deeppot.yaml is deleted; it had no other references in the tree. (deeppot.pbtxt is unrelated — a TF text-proto fixture used directly by C++ tests.) --- source/tests/infer/deeppot-testcase.yaml | 953 +++--- source/tests/infer/deeppot.yaml | 3711 ---------------------- source/tests/infer/test_models.py | 2 +- 3 files changed, 467 insertions(+), 4199 deletions(-) delete mode 100644 source/tests/infer/deeppot.yaml diff --git a/source/tests/infer/deeppot-testcase.yaml b/source/tests/infer/deeppot-testcase.yaml index 772a06a89b..1a7804faf7 100644 --- a/source/tests/infer/deeppot-testcase.yaml +++ b/source/tests/infer/deeppot-testcase.yaml @@ -1,6 +1,11 @@ -# se_e2_a + energy; types are O and H +# se_e2_a + energy; types are O and H; type_one_side=True. +# Source model is deeppot_sea.yaml (the dpmodel-serialized variant); +# reference values regenerated from deeppot_sea.pth. The earlier +# fixture deeppot.yaml used type_one_side=False which blocks pt_expt +# export (make_fx hits a data-dependent symbolic-int guard on the +# ndim=2 NetworkCollection), so .pte/.pt2 cases were unreachable. key: se_e2_a -filename: deeppot.yaml +filename: deeppot_sea.yaml ntypes: 2 rcut: 6.0 type_map: ["O", "H"] @@ -8,43 +13,39 @@ dim_fparam: 0 dim_aparam: 0 model_def_script: { - "data_bias_nsample": 10, - "data_stat_nbatch": 10, - "data_stat_protect": 0.01, + "type_map": ["O", "H"], "descriptor": { - "activation_function": "tanh", - "axis_neuron": 4, - "exclude_types": [], - "neuron": [2, 4, 8], - "precision": "default", - "rcut": 6.0, + "type": "se_e2_a", + "sel": [46, 92], "rcut_smth": 0.5, + "rcut": 6.0, + "neuron": [3, 6, 12], "resnet_dt": False, + "axis_neuron": 2, + "precision": "float64", "seed": 1, - "sel": [46, 92], - "set_davg_zero": False, - "trainable": True, - "type": "se_e2_a", - "type_one_side": False, + "_comment2": " that's all", + "ntypes": 2, }, "fitting_net": { - "activation_function": "tanh", - "atom_ener": [], - "neuron": [6, 6, 6], - "numb_aparam": 0, - "numb_fparam": 0, - "precision": "default", - "rcond": 0.001, + "neuron": [10, 10, 10], "resnet_dt": True, + "precision": "float64", "seed": 1, - "trainable": True, + "_comment3": " that's all", "type": "ener", + "ntypes": 2, + "mixed_types": False, + "embedding_width": 24, + "dim_descrpt": 24, }, - "type_map": ["O", "H"], + "_comment4": " that's all", + "resuming": True, } results: + # ---- Block 1: PBC, 13x13x13 box ---- - coord: [ 12.83, @@ -70,325 +71,302 @@ results: box: [13.0, 0.0, 0.0, 0.0, 13.0, 0.0, 0.0, 0.0, 13.0] atomic_energy: [ - -9.275780747115504710e01, - -1.863501786584258468e02, - -1.863392472863538103e02, - -9.279281325486221021e01, - -1.863671545232153903e02, - -1.863619822847602165e02, + -9.301687394402927112e+01, + -1.859232966459582599e+02, + -1.859270965449703965e+02, + -9.301937101803908092e+01, + -1.859261799955476704e+02, + -1.859243519018519351e+02, ] force: [ - -3.034045420701179663e-01, - 8.405844663871177014e-01, - 7.696947487118485642e-02, - 7.662001266663505117e-01, - -1.880601391333554251e-01, - -6.183333871091722944e-01, - -5.036172391059643427e-01, - -6.529525836149027151e-01, - 5.432962643022043459e-01, - 6.382357912332115024e-01, - -1.748518296794561167e-01, - 3.457363524891907125e-01, - 1.286482986991941552e-03, - 3.757251165286925043e-01, - -5.972588700887541124e-01, - -5.987006197104716154e-01, - -2.004450304880958100e-01, - 2.495901655353461868e-01, + 6.277522211496972503e-03, + -1.117962774241806206e-03, + 6.185804450073023597e-04, + 9.928999654618131387e-03, + 3.026035654427112597e-03, + -6.941982227356422938e-03, + 6.678532121166327884e-04, + -2.449963843045794079e-03, + 6.506463508310142765e-03, + -7.284129114888623219e-03, + 5.306622051780528204e-04, + -2.880682103728517823e-05, + 6.809778134936588651e-05, + 6.121331982905894517e-03, + -9.019754601712779915e-03, + -9.658343744692481081e-03, + -6.110103225223456613e-03, + 8.865499696789043774e-03, ] atomic_virial: [ - -2.912234126853306959e-01, - -3.800610846612756388e-02, - 2.776624987489437202e-01, - -5.053761003913598976e-02, - -3.152373041953385746e-01, - 1.060894290092162379e-01, - 2.826389131596073745e-01, - 1.039129970665329250e-01, - -2.584378792325942586e-01, - -3.121722367954994914e-01, - 8.483275876786681990e-02, - 2.524662342344257682e-01, - 4.142176771106586414e-02, - -3.820285230785245428e-02, - -2.727311173065460545e-02, - 2.668859789777112135e-01, - -6.448243569420382404e-02, - -2.121731470426218846e-01, - -8.624335220278558922e-02, - -1.809695356746038597e-01, - 1.529875294531883312e-01, - -1.283658185172031341e-01, - -1.992682279795223999e-01, - 1.409924999632362341e-01, - 1.398322735274434292e-01, - 1.804318474574856390e-01, - -1.470309318999652726e-01, - -2.593983661598450730e-01, - -4.236536279233147489e-02, - 3.386387920184946720e-02, - -4.174017537818433543e-02, - -1.003500282164128260e-01, - 1.525690815194478966e-01, - 3.398976109910181037e-02, - 1.522253908435125536e-01, - -2.349125581341701963e-01, - 9.515545977581392825e-04, - -1.643218849228543846e-02, - 1.993234765412972564e-02, - 6.027265332209678569e-04, - -9.563256398907417355e-02, - 1.510815124001868293e-01, - -7.738094816888557714e-03, - 1.502832772532304295e-01, - -2.380965783745832010e-01, - -2.309456719810296654e-01, - -6.666961081213038098e-02, - 7.955566551234216632e-02, - -8.099093777937517447e-02, - -3.386641099800401927e-02, - 4.447884755740908608e-02, - 1.008593228579038742e-01, - 4.556718179228393811e-02, - -6.078081273849572641e-02, + -1.552380090344661345e-04, + 1.166055163779652210e-04, + -7.869862475750482450e-03, + 4.655783401101660710e-04, + 8.182547185118880378e-03, + -2.398713211956669464e-03, + -8.112887338128246806e-03, + -2.423738425269529595e-03, + 7.210716604611464020e-03, + -1.920350401169378107e-02, + 1.724938708533583012e-03, + 9.909211090506525252e-03, + 1.153857542464131443e-03, + -1.600015103379723389e-03, + -5.600240901016293946e-04, + 1.072783627550894132e-02, + -1.034836403828863494e-03, + -7.973454376612044980e-03, + -2.151739910552470311e-02, + -4.064359664371654940e-03, + 4.866398691741711732e-03, + -3.360038616838238561e-03, + -7.241406161631644411e-03, + 5.920941051411710704e-03, + 4.899151656722573051e-03, + 6.290788590666285263e-03, + -6.478820311136270979e-03, + 1.921504710213038647e-03, + 1.313470920748808536e-03, + -3.040912359789154848e-04, + 1.684345981132508207e-03, + 4.124109255749155295e-03, + -6.396084465294968151e-03, + -7.010956177070323293e-04, + -6.356507031895444575e-03, + 9.818550858627114394e-03, + -1.523066458741705563e-02, + -1.102443756985684031e-04, + 6.903193959216123374e-04, + 4.595302340448901169e-05, + -5.726548769709006309e-03, + 8.769818495180570564e-03, + -5.723802104218417806e-04, + 8.860603423124864889e-03, + -1.381934804972322940e-02, + -2.122708255849726361e-02, + -4.977781342565361193e-03, + 6.646239696472253100e-03, + -5.987066507248296407e-03, + -2.767831231504481928e-03, + 3.746502525306217440e-03, + 7.697590396938299752e-03, + 3.746130151747907935e-03, + -5.172634748186483861e-03, ] descriptor: [ - 1.321519961572583446e+00, - 1.371086996432463234e+00, - 1.343885362068737654e+00, - 7.030511147133322591e-01, - 1.371086996432463234e+00, - 1.522728277961870713e+00, - 1.495890684109977053e+00, - 7.457809775555739318e-01, - 1.343885362068737654e+00, - 1.495890684109977053e+00, - 1.469632964943500042e+00, - 7.315484240279518380e-01, - 7.030511147133322591e-01, - 7.457809775555739318e-01, - 7.315484240279518380e-01, - 3.769423714838210926e-01, - 1.397448213242690862e+00, - 1.406307843425486315e+00, - 1.376945776785887476e+00, - 7.364224033531289182e-01, - 1.349677138676806498e+00, - 1.501489244191841710e+00, - 1.475108126068265024e+00, - 7.345932819566267646e-01, - 1.428791111325009577e+00, - 1.527566663819698745e+00, - 1.498782670338390632e+00, - 7.675267547771572607e-01, - 9.945305114958860049e-01, - 1.119429391438308219e+00, - 1.100175320069580742e+00, - 5.435256973435016459e-01, - 1.857190745941245336e+00, - 1.712653950602609498e+00, - 1.669033760849789605e+00, - 9.115932216522792952e-01, - 1.712653950602609498e+00, - 1.774801034363276520e+00, - 1.737803632150541455e+00, - 8.652896470799232853e-01, - 1.669033760849789605e+00, - 1.737803632150541455e+00, - 1.701914413913524937e+00, - 8.444842527320339798e-01, - 9.115932216522792952e-01, - 8.652896470799232853e-01, - 8.444842527320339798e-01, - 4.518552761259164718e-01, - 2.047343778537022985e+00, - 1.803503653609380475e+00, - 1.754050188943322208e+00, - 9.944616692818087911e-01, - 1.654654031531220149e+00, - 1.723583984166921823e+00, - 1.688052380342037084e+00, - 8.375386196249569037e-01, - 1.904925986059241572e+00, - 1.845391378434923402e+00, - 1.802137505101731207e+00, - 9.463545327018678677e-01, - 1.195956664712712669e+00, - 1.272969241553762787e+00, - 1.247794584173576471e+00, - 6.091661698149348769e-01, - 1.729318681716640826e+00, - 1.620316206148274540e+00, - 1.578053322854602758e+00, - 8.384315939852660104e-01, - 1.620316206148274540e+00, - 1.676382173662613884e+00, - 1.639223989973451090e+00, - 7.989806603154945286e-01, - 1.578053322854602758e+00, - 1.639223989973451090e+00, - 1.603163928836319085e+00, - 7.787623774594047976e-01, - 8.384315939852660104e-01, - 7.989806603154945286e-01, - 7.787623774594047976e-01, - 4.083319738392942599e-01, - 1.895061711055783693e+00, - 1.704719175253225805e+00, - 1.657289874036961708e+00, - 9.129654774778642734e-01, - 1.563778651834606404e+00, - 1.623994208975480413e+00, - 1.588269534429824548e+00, - 7.718070758411798016e-01, - 1.784871498937309786e+00, - 1.743282784333909374e+00, - 1.700760863129526790e+00, - 8.714582672042692213e-01, - 1.128335098273277159e+00, - 1.191704502556441003e+00, - 1.166245241817210010e+00, - 5.588000601315349369e-01, - 1.666120192454127125e+00, - 1.691592960101290677e+00, - 1.660848078254600457e+00, - 9.148871223997685487e-01, - 1.691592960101290677e+00, - 1.807557128537562008e+00, - 1.777443773744786570e+00, - 9.384841989100006776e-01, - 1.660848078254600457e+00, - 1.777443773744786570e+00, - 1.747912040379999921e+00, - 9.217134916614336815e-01, - 9.148871223997685487e-01, - 9.384841989100006776e-01, - 9.217134916614336815e-01, - 5.034483776550070511e-01, - 1.784463156540595508e+00, - 1.770428626353183876e+00, - 1.736989815040471008e+00, - 9.755029855694796748e-01, - 1.671216271483192850e+00, - 1.786798962823082038e+00, - 1.757059913333324896e+00, - 9.272948493374369994e-01, - 1.787952366477808974e+00, - 1.855120330291613273e+00, - 1.822612777927184124e+00, - 9.860466542466375106e-01, - 1.240466553399573124e+00, - 1.335597814608440181e+00, - 1.313636073416146965e+00, - 6.893007932368097057e-01, - 2.311436366095430905e+00, - 2.106967028437471523e+00, - 2.059250658547694179e+00, - 1.173357457272029780e+00, - 2.106967028437471523e+00, - 2.099685185993240832e+00, - 2.058804265227755614e+00, - 1.088540185250911785e+00, - 2.059250658547694179e+00, - 2.058804265227755614e+00, - 2.018985089841780045e+00, - 1.064745413335918212e+00, - 1.173357457272029780e+00, - 1.088540185250911785e+00, - 1.064745413335918212e+00, - 5.982334090189560527e-01, - 2.562378776048241047e+00, - 2.257458645273420217e+00, - 2.203404394497280983e+00, - 1.292393223640032840e+00, - 2.047955802464616948e+00, - 2.047105830421261707e+00, - 2.007521807924319557e+00, - 1.058951143245145721e+00, - 2.363728390448381234e+00, - 2.235568922662932501e+00, - 2.187964141514865180e+00, - 1.208516329724113270e+00, - 1.489466008127536600e+00, - 1.511668501789738439e+00, - 1.483254366306933525e+00, - 7.727514556258590073e-01, - 2.129030587855572421e+00, - 1.947158041374798865e+00, - 1.900213202229163123e+00, - 1.062720944427532066e+00, - 1.947158041374798865e+00, - 1.974765866918151369e+00, - 1.934939878705544514e+00, - 9.958975115167185699e-01, - 1.900213202229163123e+00, - 1.934939878705544514e+00, - 1.896230134293759750e+00, - 9.730461889970962730e-01, - 1.062720944427532066e+00, - 9.958975115167185699e-01, - 9.730461889970962730e-01, - 5.346713914730781836e-01, - 2.358302986474245078e+00, - 2.072936997733268782e+00, - 2.019613016300256803e+00, - 1.166931775412306971e+00, - 1.889259211229606494e+00, - 1.923865183776938270e+00, - 1.885410865441944139e+00, - 9.676424835630113019e-01, - 2.180008917694376436e+00, - 2.081759028316970461e+00, - 2.035118746221280528e+00, - 1.099152505661615153e+00, - 1.366637640485368177e+00, - 1.418420572687418169e+00, - 1.391094495316195001e+00, - 7.036614101584164338e-01, + 1.129821625845773142e-01, + -2.451870500195346345e-02, + -2.451870500195346345e-02, + 2.145238188278225308e-02, + -5.464202963174955713e-02, + 4.886942606110655611e-03, + 1.091130436703536544e-01, + -2.163122636173174171e-02, + -1.044744992002184965e-02, + 1.763132622592170073e-02, + -7.616792700221593215e-02, + 9.159283277510643639e-03, + 1.006170611883677179e-01, + -2.882312712888046233e-02, + -7.852146687026102800e-02, + 3.152020731636572676e-02, + -1.176747904823024181e-02, + -1.282489922045490505e-02, + 2.681742451096029781e-02, + 6.828120935095481972e-03, + -5.531822211409883477e-02, + 1.993960287286231786e-02, + 1.957643639517721301e-02, + -1.307746508710271385e-02, + 1.808039788641994938e-01, + -2.583744223254213004e-02, + -2.583744223254213004e-02, + 3.049367282971396365e-02, + -1.094545760731777673e-01, + 1.671865412502383103e-02, + 1.613131489967460364e-01, + -8.383830188726269089e-03, + -6.786139192271434945e-03, + 2.857288566892269427e-02, + -1.303898420990779738e-01, + 8.224364760325283269e-03, + 1.653403322778490836e-01, + -4.331914472623910051e-02, + -1.170738500873214211e-01, + 4.300497222394170094e-02, + -8.579574294015472613e-02, + 2.870404450799740256e-02, + 8.065936494305153692e-02, + -1.261325393550872566e-02, + -1.288382320818652893e-01, + 6.794530319136325713e-02, + -5.682724511105883419e-03, + 9.492025300982302738e-03, + 1.655805966652343086e-01, + -3.043586004639345019e-02, + -3.043586004639345019e-02, + 2.846251832910694571e-02, + -1.007680590235132123e-01, + 1.919678697453253494e-02, + 1.435461904656015475e-01, + -1.440559233230328737e-02, + -1.410559392925631733e-02, + 2.581948535575748563e-02, + -1.175158088833931913e-01, + 1.249900332019658958e-02, + 1.541094919154783471e-01, + -4.575344968402492857e-02, + -1.143169897471764535e-01, + 4.304160138993787243e-02, + -8.184538234855268102e-02, + 2.860792813903801496e-02, + 7.198589832973621705e-02, + -1.482719999890798682e-02, + -1.300053909197053659e-01, + 6.568368047681076571e-02, + -7.046134259181807864e-03, + 8.549818177367341995e-03, + 1.073217782939563381e-01, + -2.616474204316531285e-02, + -2.616474204316531285e-02, + 2.501820886131789906e-02, + -5.068642078716593252e-02, + 3.796061962323950007e-03, + 1.035870241182166446e-01, + -2.328332668413704218e-02, + -1.292959126278947490e-02, + 2.075343704571892822e-02, + -7.110643098987759481e-02, + 8.456403510577225821e-03, + 9.683205941509979986e-02, + -3.187635248248390368e-02, + -7.699418750006579992e-02, + 3.530660989937877553e-02, + -8.148600381208690249e-03, + -1.680668673477676150e-02, + 2.336381680570127906e-02, + 8.873854999607286298e-03, + -5.388755200112620852e-02, + 2.147150030211915361e-02, + 2.018492530525488673e-02, + -1.575817150632674579e-02, + 1.684761261679466882e-01, + -2.894708779662477638e-02, + -2.894708779662477638e-02, + 3.519261999821912679e-02, + -1.011840703921141615e-01, + 1.805839722634096020e-02, + 1.486158193962139606e-01, + -9.796357105912867347e-03, + -1.156401314674992964e-02, + 3.311245569798526578e-02, + -1.196460153254131770e-01, + 8.639415342444700316e-03, + 1.564204524628047821e-01, + -4.905211600460944454e-02, + -1.136903688727449319e-01, + 4.872456190316507008e-02, + -7.915404511852512648e-02, + 3.041758574442529964e-02, + 7.309120356648045325e-02, + -1.367191806896849403e-02, + -1.258970497946025058e-01, + 7.609841930722031911e-02, + -4.821579017260461605e-03, + 9.825431862321558699e-03, + 1.775350445137578448e-01, + -2.663782096805917751e-02, + -2.663782096805917751e-02, + 3.367639368353378404e-02, + -1.064848341944192728e-01, + 1.631909249757245925e-02, + 1.590075598741956253e-01, + -8.589231958961759950e-03, + -7.862999282231469822e-03, + 3.166940176832353654e-02, + -1.273370668011345463e-01, + 7.383575641178608331e-03, + 1.628138134821334737e-01, + -4.590165043762509806e-02, + -1.156106345611961628e-01, + 4.605672123113037364e-02, + -8.152317730225416836e-02, + 2.767621644119129184e-02, + 7.824310952235562222e-02, + -1.203752912382165946e-02, + -1.258822352006225831e-01, + 7.142458273123890311e-02, + -4.256652507873207557e-03, + 8.828016076041278470e-03, ] fit_ll: [ - -1.930622006643730598e-02, - 7.105172146387829235e-01, - 8.063835335367619539e-01, - -8.414936892447275607e-01, - 1.076881365346436414e+00, - -5.058153291569045251e-01, - -3.104797373867691779e-02, - 7.915138025598530414e-01, - 8.704498369678651537e-01, - -9.394329433114724237e-01, - 1.081177674358831053e+00, - -5.122829163516022799e-01, - 5.307913125575804136e-03, - 7.644783775007328863e-01, - 8.548853566716824171e-01, - -9.264496186379944653e-01, - 1.087178488222722672e+00, - -4.893627623467682874e-01, - -1.098746804357388085e-01, - 8.092546382430507723e-01, - 8.757043853926992361e-01, - -9.036627000544070754e-01, - 1.064706190677472852e+00, - -5.670533963064982030e-01, - -1.270062329805081158e-01, - 8.618261193779762630e-01, - 8.979592934126284787e-01, - -9.939941754957831721e-01, - 1.072078883192923771e+00, - -5.780043831847785363e-01, - -8.617331266742107865e-02, - 8.388158674801169390e-01, - 8.904977456468012864e-01, - -9.751383339999978306e-01, - 1.075378146084344344e+00, - -5.508880199511664300e-01, + -7.548067351550121762e-01, + -9.303799739980533889e-01, + 6.895089157597975582e-01, + 8.224628678656880076e-01, + -7.231703379243541452e-01, + -6.337584173727184300e-01, + -1.086719503764976280e-01, + 5.135734701515533018e-01, + -7.360040020873596101e-01, + 9.431060730932856462e-01, + -6.609346794687113169e-01, + -6.089092728504438279e-01, + 8.513276299757502885e-01, + -8.786706219281040786e-01, + 7.398168324097917914e-01, + 4.794832163697577698e-01, + -8.398528610853701615e-01, + -1.000599575520762577e-02, + -9.712406637885147298e-02, + -7.244395552562166163e-01, + -6.612944129400523119e-01, + -6.108894100868881294e-01, + 8.495557658763615017e-01, + -8.786952700812640238e-01, + 7.384778268736510443e-01, + 4.785755129830296939e-01, + -8.382967856708726240e-01, + 1.135985920645873719e-03, + -9.612042705987686175e-02, + -7.291350195114943977e-01, + -7.537762664402029023e-01, + -9.298992719444345578e-01, + 6.865099839317710950e-01, + 8.230046342195852516e-01, + -7.229221637308904658e-01, + -6.360182315783003970e-01, + -1.120442735388108568e-01, + 5.151576108386071162e-01, + -7.361645042168739606e-01, + 9.418991911590006705e-01, + -6.620395984307845261e-01, + -6.106460766985751798e-01, + 8.500151824050338201e-01, + -8.801409448957688841e-01, + 7.385895174373134919e-01, + 4.792887096726309304e-01, + -8.414820652237511300e-01, + -2.025015410211059366e-03, + -9.777216509757293006e-02, + -7.300139783139688587e-01, + -6.609969054386108933e-01, + -6.095058868827923915e-01, + 8.509346408011880802e-01, + -8.791097802883512946e-01, + 7.393597886720710832e-01, + 4.794299787348282327e-01, + -8.406224147876234509e-01, + -7.906909822852643821e-03, + -9.693640503230932515e-02, + -7.262293909331748454e-01, ] + # ---- Block 2: NoPBC ---- - coord: [ 12.83, @@ -414,91 +392,92 @@ results: box: null atomic_energy: [ - -9.255934839310273787e01, - -1.863253376736990106e02, - -1.857237299341402945e02, - -9.279308539717486326e01, - -1.863708105823244239e02, - -1.863635196514972563e02, + -9.300330490887424162e+01, + -1.859158065424798849e+02, + -1.859281167176243343e+02, + -9.301793493434611548e+01, + -1.859243934122776807e+02, + -1.859239067408008452e+02, ] force: [ - -2.161037360255332107e00, - 9.052994347015581589e-01, - 1.635379623977007979e00, - 2.161037360255332107e00, - -9.052994347015581589e-01, - -1.635379623977007979e00, - -1.167128117249453811e-02, - 1.371975700096064992e-03, - -1.575265180249604477e-03, - 6.226508593971802341e-01, - -1.816734122009256991e-01, - 3.561766019664774907e-01, - -1.406075393906316626e-02, - 3.789140061530929526e-01, - -6.018777878642909140e-01, - -5.969188242856223736e-01, - -1.986125696522633155e-01, - 2.472764510780630642e-01, + 8.681826370810045990e-04, + -3.636981317501498251e-04, + -6.570030767099480432e-04, + -8.681826370810045990e-04, + 3.636981317501498251e-04, + 6.570030767099480432e-04, + 7.932614680370739940e-03, + -1.003609844201122561e-03, + 7.377317221202287813e-04, + -3.883788857914067041e-03, + 6.868962817963256313e-04, + -5.784006823964463889e-04, + 4.064895085923741873e-03, + 6.115547962475721341e-03, + -8.747097813775285557e-03, + -8.113720908380415639e-03, + -5.798834400070925280e-03, + 8.587766774051503599e-03, ] atomic_virial: [ - -7.042445481792056761e-01, - 2.950213647777754078e-01, - 5.329418202437231633e-01, - 2.950213647777752968e-01, - -1.235900311906896754e-01, - -2.232594111831812944e-01, - 5.329418202437232743e-01, - -2.232594111831813499e-01, - -4.033073234276823849e-01, - -8.949230984097404917e-01, - 3.749002169013777030e-01, - 6.772391014992630298e-01, - 3.749002169013777586e-01, - -1.570527935667933583e-01, - -2.837082722496912512e-01, - 6.772391014992631408e-01, - -2.837082722496912512e-01, - -5.125052659994422388e-01, - 4.858210330291591605e-02, - -6.902596153269104431e-03, - 6.682612642430500391e-03, - -5.612247004554610057e-03, - 9.767795567660207592e-04, - -9.773758942738038254e-04, - 5.638322117219018645e-03, - -9.483806049779926932e-04, - 8.493873281881353637e-04, - -2.941738570564985666e-01, - -4.482529909499673171e-02, - 4.091569840186781021e-02, - -4.509020615859140463e-02, - -1.013919988807244071e-01, - 1.551440772665269030e-01, - 4.181857726606644232e-02, - 1.547200233064863484e-01, - -2.398213304685777592e-01, - -3.218625798524068354e-02, - -1.012438450438508421e-02, - 1.271639330380921855e-02, - 3.072814938490859779e-03, - -9.556241797915024372e-02, - 1.512251983492413077e-01, - -8.277872384009607454e-03, - 1.505412040827929787e-01, - -2.386150620881526407e-01, - -2.312295470054945568e-01, - -6.631490213524345034e-02, - 7.932427266386249398e-02, - -8.053754366323923053e-02, - -3.294595881137418747e-02, - 4.342495071150231922e-02, - 1.004599500126941436e-01, - 4.450400364869536163e-02, - -5.951077548033092968e-02, + 7.762485363697021676e-03, + -3.251851976683913913e-03, + -5.874313248203204448e-03, + -3.251851976683862305e-03, + 1.362262314556774226e-03, + 2.460860955328366372e-03, + -5.874313248203128987e-03, + 2.460860955328374178e-03, + 4.445426241883502529e-03, + -7.120030212257079383e-03, + 2.982715359188802765e-03, + 5.388130971437841282e-03, + 2.982715359188751157e-03, + -1.249515893714227711e-03, + -2.257190001548282400e-03, + 5.388130971437766689e-03, + -2.257190001548290206e-03, + -4.077504518925931763e-03, + -1.580586358909712857e-02, + 1.952684835339495162e-03, + -1.522876482114424168e-03, + 1.796574704094747350e-03, + -3.588039497103298961e-04, + 3.697108127214926258e-04, + -1.108943040428723558e-03, + 3.325852997504751343e-04, + -3.954813087575727217e-04, + 8.873525622918761874e-03, + 1.919112114160169760e-03, + -1.486235521606316980e-03, + 2.002929532458321005e-03, + 4.222469271912906649e-03, + -6.517211126413131883e-03, + -1.656192522334828509e-03, + -6.501210045082648006e-03, + 1.011862229522495112e-02, + -6.548889778050157734e-03, + -4.651269908253832797e-04, + 1.002876602960296043e-03, + 2.403987344547428573e-04, + -5.794489784409875485e-03, + 8.940685179165651364e-03, + -1.217276847235160275e-04, + 8.931999051093146569e-03, + -1.385279756323975694e-02, + -1.796295567546210559e-02, + -4.645050452901974131e-03, + 6.214692837287111998e-03, + -5.278283465235504568e-03, + -2.662692757565771756e-03, + 3.618275904645685409e-03, + 7.095320684013722845e-03, + 3.648086464358726855e-03, + -5.023397513498603639e-03, ] + # ---- Block 3: PBC, 19x13x13 box (atoms isolated within rcut) ---- - coord: [ 12.83, @@ -524,88 +503,88 @@ results: box: [19.0, 0.0, 0.0, 0.0, 13.0, 0.0, 0.0, 0.0, 13.0] atomic_energy: [ - -9.255934839310273787e01, - -1.863253376736990106e02, - -1.857237299341402945e02, - -9.279308539717486326e01, - -1.863708105823244239e02, - -1.863635196514972563e02, + -9.300330490887424162e+01, + -1.859158065424798849e+02, + -1.859281167176243343e+02, + -9.301793493434611548e+01, + -1.859243934122776807e+02, + -1.859239067408008452e+02, ] force: [ - -2.161037360255332107e00, - 9.052994347015581589e-01, - 1.635379623977007979e00, - 2.161037360255332107e00, - -9.052994347015581589e-01, - -1.635379623977007979e00, - -1.167128117249453811e-02, - 1.371975700096064992e-03, - -1.575265180249604477e-03, - 6.226508593971802341e-01, - -1.816734122009256991e-01, - 3.561766019664774907e-01, - -1.406075393906316626e-02, - 3.789140061530929526e-01, - -6.018777878642909140e-01, - -5.969188242856223736e-01, - -1.986125696522633155e-01, - 2.472764510780630642e-01, + 8.681826370809907212e-04, + -3.636981317501454883e-04, + -6.570030767099385022e-04, + -8.681826370809907212e-04, + 3.636981317501454883e-04, + 6.570030767099385022e-04, + 7.932614680370739940e-03, + -1.003609844201122561e-03, + 7.377317221202287813e-04, + -3.883788857914067041e-03, + 6.868962817963256313e-04, + -5.784006823964463889e-04, + 4.064895085923741873e-03, + 6.115547962475721341e-03, + -8.747097813775285557e-03, + -8.113720908380415639e-03, + -5.798834400070925280e-03, + 8.587766774051503599e-03, ] atomic_virial: [ - -7.042445481792056761e-01, - 2.950213647777754078e-01, - 5.329418202437231633e-01, - 2.950213647777752968e-01, - -1.235900311906896754e-01, - -2.232594111831812944e-01, - 5.329418202437232743e-01, - -2.232594111831813499e-01, - -4.033073234276823849e-01, - -8.949230984097404917e-01, - 3.749002169013777030e-01, - 6.772391014992630298e-01, - 3.749002169013777586e-01, - -1.570527935667933583e-01, - -2.837082722496912512e-01, - 6.772391014992631408e-01, - -2.837082722496912512e-01, - -5.125052659994422388e-01, - 4.858210330291591605e-02, - -6.902596153269104431e-03, - 6.682612642430500391e-03, - -5.612247004554610057e-03, - 9.767795567660207592e-04, - -9.773758942738038254e-04, - 5.638322117219018645e-03, - -9.483806049779926932e-04, - 8.493873281881353637e-04, - -2.941738570564985666e-01, - -4.482529909499673171e-02, - 4.091569840186781021e-02, - -4.509020615859140463e-02, - -1.013919988807244071e-01, - 1.551440772665269030e-01, - 4.181857726606644232e-02, - 1.547200233064863484e-01, - -2.398213304685777592e-01, - -3.218625798524068354e-02, - -1.012438450438508421e-02, - 1.271639330380921855e-02, - 3.072814938490859779e-03, - -9.556241797915024372e-02, - 1.512251983492413077e-01, - -8.277872384009607454e-03, - 1.505412040827929787e-01, - -2.386150620881526407e-01, - -2.312295470054945568e-01, - -6.631490213524345034e-02, - 7.932427266386249398e-02, - -8.053754366323923053e-02, - -3.294595881137418747e-02, - 4.342495071150231922e-02, - 1.004599500126941436e-01, - 4.450400364869536163e-02, - -5.951077548033092968e-02, + 7.762485363696981777e-03, + -3.251851976683938633e-03, + -5.874313248203209652e-03, + -3.251851976683875316e-03, + 1.362262314556786803e-03, + 2.460860955328377647e-03, + -5.874313248203116844e-03, + 2.460860955328391091e-03, + 4.445426241883515539e-03, + -7.120030212257049892e-03, + 2.982715359188831388e-03, + 5.388130971437855160e-03, + 2.982715359188768504e-03, + -1.249515893714241805e-03, + -2.257190001548296278e-03, + 5.388130971437763220e-03, + -2.257190001548310156e-03, + -4.077504518925950845e-03, + -1.580586358909712857e-02, + 1.952684835339495162e-03, + -1.522876482114424168e-03, + 1.796574704094747350e-03, + -3.588039497103298961e-04, + 3.697108127214926258e-04, + -1.108943040428723558e-03, + 3.325852997504751343e-04, + -3.954813087575727217e-04, + 8.873525622918761874e-03, + 1.919112114160169760e-03, + -1.486235521606316980e-03, + 2.002929532458321005e-03, + 4.222469271912906649e-03, + -6.517211126413131883e-03, + -1.656192522334828509e-03, + -6.501210045082648006e-03, + 1.011862229522495112e-02, + -6.548889778050157734e-03, + -4.651269908253832797e-04, + 1.002876602960296043e-03, + 2.403987344547428573e-04, + -5.794489784409875485e-03, + 8.940685179165651364e-03, + -1.217276847235160275e-04, + 8.931999051093146569e-03, + -1.385279756323975694e-02, + -1.796295567546210559e-02, + -4.645050452901974131e-03, + 6.214692837287111998e-03, + -5.278283465235504568e-03, + -2.662692757565771756e-03, + 3.618275904645685409e-03, + 7.095320684013722845e-03, + 3.648086464358726855e-03, + -5.023397513498603639e-03, ] diff --git a/source/tests/infer/deeppot.yaml b/source/tests/infer/deeppot.yaml deleted file mode 100644 index 65ca887076..0000000000 --- a/source/tests/infer/deeppot.yaml +++ /dev/null @@ -1,3711 +0,0 @@ -backend: TensorFlow -model: - "@class": Model - "@variables": - out_bias: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - - 0.0 - - - 0.0 - out_std: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - - 1.0 - - - 1.0 - "@version": 2 - atom_exclude_types: [] - descriptor: - "@class": Descriptor - "@variables": - davg: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - 0.05027149261687008 - - 0.0 - - 0.0 - - 0.0 - - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - - - 0.04803829441867734 - - 0.0 - - 0.0 - - 0.0 - dstd: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - 0.13976005703637243 - - 0.08575050491754753 - - 0.08575050491754753 - - 0.08575050491754753 - - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - - - 0.12376468175531148 - - 0.07664900928404161 - - 0.07664900928404161 - - 0.07664900928404161 - "@version": 2 - activation_function: tanh - axis_neuron: 4 - embeddings: - "@class": NetworkCollection - "@version": 1 - ndim: 2 - network_type: embedding_network - networks: - - "@class": EmbeddingNetwork - "@version": 2 - activation_function: tanh - bias: true - in_dim: 1 - layers: - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.23478444403045437 - - -0.3608966547994761 - idt: null - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.1483609284974968 - - -0.19576585549914874 - "@version": 1 - activation_function: tanh - bias: true - precision: float64 - resnet: true - use_timestep: false - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.23514778876035103 - - -0.34597502183802903 - - -0.8451031886703056 - - -0.2522626391797063 - idt: null - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.10688380563783444 - - -0.1515111588984168 - - -0.33277524887712995 - - -0.09084826858227726 - - - 0.787502919190505 - - -0.15802789820645322 - - 0.15566981542916905 - - -0.6920049088607294 - "@version": 1 - activation_function: tanh - bias: true - precision: float64 - resnet: true - use_timestep: false - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.2350685399367557 - - -0.3455629133333502 - - -0.8451359626551638 - - -0.2525821335842585 - - 1.902074699869287 - - -0.36257325507886584 - - 0.3520113949269397 - - -1.7242197834206865 - idt: null - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.07789594703423472 - - -0.10981402605267694 - - -0.2327735279046027 - - -0.06133796163141329 - - 0.5594255984471445 - - -0.11321132594788606 - - 0.11203680862349125 - - -0.48734845232123636 - - - 0.19676845594364822 - - -0.22528518575059764 - - 0.05616961155577786 - - -0.28310883072701315 - - 0.03013945734230956 - - 0.4319998100327321 - - 0.22775560766223585 - - -0.11846019903928834 - - - -0.29511949307433716 - - 0.6960455612512751 - - -0.0905483898759496 - - 0.15611801170387365 - - 0.20614842675026418 - - 0.16581075594338682 - - 0.06993682668534387 - - -0.09610911908612713 - - - -0.11314847064209883 - - 0.04875220787316094 - - 0.01936195078789102 - - -0.5980141702885606 - - -0.3047173235352668 - - -0.15434839344704393 - - -0.2278679323797717 - - -0.1409316170731859 - "@version": 1 - activation_function: tanh - bias: true - precision: float64 - resnet: true - use_timestep: false - neuron: - - 2 - - 4 - - 8 - precision: float64 - resnet_dt: false - - "@class": EmbeddingNetwork - "@version": 2 - activation_function: tanh - bias: true - in_dim: 1 - layers: - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.23525957549187318 - - -0.35922195933103845 - idt: null - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.14792649240792105 - - -0.20446352766274903 - "@version": 1 - activation_function: tanh - bias: true - precision: float64 - resnet: true - use_timestep: false - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.23582641372530888 - - -0.3453386306229197 - - -0.8450598098130523 - - -0.2518184001510682 - idt: null - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.10637604057224005 - - -0.15201277087314805 - - -0.3329933989682575 - - -0.09130438804766447 - - - 0.7869197320155327 - - -0.1585567380939932 - - 0.1555149766007178 - - -0.6924525512301637 - "@version": 1 - activation_function: tanh - bias: true - precision: float64 - resnet: true - use_timestep: false - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.2430782272618419 - - -0.3453721178892135 - - -0.8448126856221586 - - -0.2377014579109305 - - 1.9027604405861902 - - -0.36207676359322477 - - 0.3523397875096072 - - -1.723850984580878 - idt: null - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.07778417710517387 - - -0.11002453285554777 - - -0.23307196128398452 - - -0.07775567555914253 - - 0.5587234054479154 - - -0.11343779282644652 - - 0.11135419754714604 - - -0.4877292831787125 - - - 0.19678482732545077 - - -0.22547931370125804 - - 0.05586401026979931 - - -0.2988180004554702 - - 0.029452682599746694 - - 0.43172805952182347 - - 0.22716932951478805 - - -0.11883190329794015 - - - -0.29517857725813595 - - 0.6958335429641627 - - -0.09084902203916106 - - 0.14005839228780614 - - 0.20545941473340892 - - 0.16556906313302244 - - 0.06930809865740001 - - -0.09647939899412604 - - - -0.11314383113119282 - - 0.048196202180822906 - - 0.01907367239643076 - - -0.6113266911412717 - - -0.30541179257775575 - - -0.15449406595717238 - - -0.2285254360379169 - - -0.14130493785610665 - "@version": 1 - activation_function: tanh - bias: true - precision: float64 - resnet: true - use_timestep: false - neuron: - - 2 - - 4 - - 8 - precision: float64 - resnet_dt: false - - "@class": EmbeddingNetwork - "@version": 2 - activation_function: tanh - bias: true - in_dim: 1 - layers: - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.23478678464841776 - - -0.36075512856495756 - idt: null - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.14831674252062696 - - -0.1953922760489844 - "@version": 1 - activation_function: tanh - bias: true - precision: float64 - resnet: true - use_timestep: false - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.23515783571613702 - - -0.3458698163845775 - - -0.8451115023728057 - - -0.2522382968113573 - idt: null - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.10692129212506155 - - -0.1514012392018466 - - -0.33285382909405414 - - -0.09077822611383586 - - - 0.7875165873824478 - - -0.15799168734278304 - - 0.15563651896545694 - - -0.69197130388341 - "@version": 1 - activation_function: tanh - bias: true - precision: float64 - resnet: true - use_timestep: false - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.2515143023717277 - - -0.3454690514716518 - - -0.8451314655852854 - - -0.25241527654305573 - - 1.9020767433796355 - - -0.3613409123982395 - - 0.35191682113765704 - - -1.7242169888734844 - idt: null - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.07810403871403196 - - -0.10996637364241112 - - -0.23275115680024294 - - -0.06101596083672007 - - 0.5594231483617536 - - -0.11085228657943517 - - 0.11186002010873922 - - -0.4873515814541347 - - - 0.19704389078106269 - - -0.22546705064327474 - - 0.056182957808208485 - - -0.2831196572407169 - - 0.030137330870683172 - - 0.4336466764530981 - - 0.22763523142789513 - - -0.11846304042397363 - - - -0.29488813619069365 - - 0.6958755023539906 - - -0.0905341014760561 - - 0.1561879901282086 - - 0.20614639300872942 - - 0.1678343397457743 - - 0.06979155784520899 - - -0.09611185026716627 - - - -0.11289250581725747 - - 0.04836745537113729 - - 0.019379695361922373 - - -0.598118777997802 - - -0.30471917127309245 - - -0.15196488605837852 - - -0.22806261393977484 - - -0.1409340915939938 - "@version": 1 - activation_function: tanh - bias: true - precision: float64 - resnet: true - use_timestep: false - neuron: - - 2 - - 4 - - 8 - precision: float64 - resnet_dt: false - - "@class": EmbeddingNetwork - "@version": 2 - activation_function: tanh - bias: true - in_dim: 1 - layers: - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.23540468843303564 - - -0.35980981030727444 - idt: null - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.14797083017426424 - - -0.21145000135115719 - "@version": 1 - activation_function: tanh - bias: true - precision: float64 - resnet: true - use_timestep: false - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.23581513105368032 - - -0.345314056944655 - - -0.8450740326809169 - - -0.2518310700402587 - idt: null - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.10630728025208877 - - -0.15183695061792649 - - -0.33292660650365086 - - -0.09133691903817227 - - - 0.7868714713896707 - - -0.15846697708210067 - - 0.15556655794771695 - - -0.692479215179153 - "@version": 1 - activation_function: tanh - bias: true - precision: float64 - resnet: true - use_timestep: false - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.24894525778142212 - - -0.3458654961091698 - - -0.8448076351610891 - - -0.23652583116037518 - - 1.9027641231479762 - - -0.3764590403829825 - - 0.3524395974274181 - - -1.7238445938803524 - idt: null - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.07756643748159375 - - -0.10995146316054309 - - -0.2330860223972873 - - -0.06823404665956201 - - 0.5587208331264318 - - -0.11376794958419845 - - 0.11150969979721581 - - -0.48773795370572615 - - - 0.19651698930634243 - - -0.22538496808804917 - - 0.05585016516862016 - - -0.29775767819734383 - - 0.029447752993279563 - - 0.43146727526925127 - - 0.22727696593449143 - - -0.11884034574252292 - - - -0.2954124586510104 - - 0.6959254169154326 - - -0.09085855339987928 - - 0.14250893812551263 - - 0.20545636857146868 - - 0.16527407368444483 - - 0.06944250734002672 - - -0.09648599004776369 - - - -0.11337879238378863 - - 0.048663217240804864 - - 0.019052221146463256 - - -0.6062156431356583 - - -0.3054173118460104 - - -0.15483069172374922 - - -0.22835573327122283 - - -0.14131314371502005 - "@version": 1 - activation_function: tanh - bias: true - precision: float64 - resnet: true - use_timestep: false - neuron: - - 2 - - 4 - - 8 - precision: float64 - resnet_dt: false - ntypes: 2 - env_mat: - rcut: 6.0 - rcut_smth: 0.5 - env_protection: 0.0 - exclude_types: [] - neuron: &id002 - - 2 - - 4 - - 8 - precision: float64 - rcut: 6.0 - rcut_smth: 0.5 - resnet_dt: false - sel: &id003 - - 46 - - 92 - set_davg_zero: false - spin: null - trainable: true - type: se_e2_a - type_map: &id001 - - O - - H - type_one_side: false - fitting: - "@class": Fitting - "@variables": - aparam_avg: null - aparam_inv_std: null - bias_atom_e: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.0 - - - 0.0 - fparam_avg: null - fparam_inv_std: null - "@version": 2 - activation_function: tanh - atom_ener: &id004 [] - dim_descrpt: 32 - dim_out: 1 - exclude_types: [] - layer_name: null - mixed_types: false - nets: - "@class": NetworkCollection - "@version": 1 - ndim: 1 - network_type: fitting_network - networks: - - "@class": FittingNetwork - "@version": 1 - activation_function: tanh - bias_out: true - in_dim: 32 - layers: - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - 0.23482898852069944 - - -0.3445117262833225 - - -0.8286027529066142 - - -0.23469363553954847 - - 1.9170927723728484 - - -0.3603408726411946 - idt: null - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.04787266028039293 - - -0.048111394322890015 - - -0.12765256890384347 - - -0.03056592852648108 - - 0.31734586355396827 - - -0.04967376799585969 - - - 0.0668962382395074 - - -0.269245238586283 - - 0.11422360975651787 - - -0.11330768071395027 - - 0.03419917924727475 - - -0.1564869872307307 - - - 0.0209329529437004 - - 0.25572717458361643 - - 0.13149361412452734 - - -0.06217438811324959 - - -0.16272414125492554 - - 0.40115043902936054 - - - -0.04725610196111701 - - 0.09255284382725744 - - 0.11942657626861877 - - 0.10553171169217503 - - 0.042326831347650605 - - -0.064918597085507 - - - -0.05950164354481784 - - 0.04101204421066463 - - 0.01402532107273625 - - -0.3322113752709022 - - -0.1682594829967128 - - -0.07531773911285464 - - - -0.12412038450028182 - - -0.07456011747435068 - - -0.017904055463169907 - - -0.16336364847808177 - - -0.12333930710784326 - - -0.04230763187843942 - - - 0.17998984892503306 - - 0.050701910831241974 - - -0.006924740473890436 - - -0.12154682963045842 - - -0.09852460235655704 - - 0.3090926897731187 - - - -0.19403748469477772 - - -0.044673713435886206 - - 0.12268817435414192 - - -0.08608718806673515 - - -0.21404044763462987 - - -0.016025570712386816 - - - 0.03735044861267793 - - 0.1954714115181002 - - -0.0478329377221919 - - -0.051489831792907614 - - 0.29705281219929136 - - -0.026722578242852138 - - - -0.38229242416725095 - - 0.0950509207770442 - - 0.03264029802436963 - - -0.05388695341552132 - - 0.007511340349824996 - - 0.007888964920288009 - - - 0.18299941032314698 - - 0.02242422019541463 - - -0.204281155987537 - - 0.054143485361609144 - - -0.08940681898302559 - - 0.007277678306738211 - - - -0.08061733904613656 - - 0.2447463654521648 - - 0.04103064764426379 - - 0.34006603425608284 - - -0.010963056744744836 - - 0.013361321478871051 - - - -0.0587369554182186 - - -0.08573908498974799 - - 0.17051621880081605 - - 0.03292417548431493 - - -0.24107467429305554 - - -0.2194927837638239 - - - 0.2286478369085629 - - 0.1588603959790983 - - 0.15900576225561078 - - 0.018619496760758872 - - -0.08050694726685764 - - -0.12737534607875167 - - - -0.14873427242300574 - - 0.3850097704643586 - - 0.10733977403446135 - - 0.04265474459936858 - - 0.32845976157621226 - - 0.2373290062450054 - - - -0.13123835420027377 - - -0.14054572259575868 - - -0.04600423046894663 - - 0.01655317622341129 - - -0.02771704390784629 - - -0.16545748165931157 - - - 0.0004617234566470117 - - 0.16971626598403566 - - 0.21436179261370755 - - -0.1610061932910281 - - -0.08002903973370666 - - -0.17286856222366534 - - - 0.1015024519841546 - - 0.04880060241715792 - - 0.007244717345927609 - - -0.11354884346589891 - - 0.15435000510530525 - - -0.21764023714404543 - - - -0.09025513744266205 - - 0.26824851415342904 - - 0.18030754874962682 - - 0.024054396540736885 - - 0.07744731310632542 - - 0.13352793277739133 - - - -0.184654035055357 - - -0.30237300393764693 - - -0.03646425497409712 - - -0.030092248058799898 - - -0.08871498067633232 - - -0.13129085291357478 - - - 0.10970377752108705 - - -0.07199021844573077 - - 0.1176079124648744 - - -0.024723675790278 - - 0.19195661811925024 - - 0.08842706900845372 - - - -0.028152653021013798 - - 0.13603078628145004 - - -0.03973252119712077 - - -0.044082284632558096 - - -0.039334280202240446 - - -0.05319349010463647 - - - 0.090675978953402 - - -0.044874264800884224 - - -0.09176108588966142 - - 0.056521886409849655 - - -0.28939144000040057 - - -0.09067173054346103 - - - -0.22141185493855725 - - -0.026544755109262505 - - 0.1666254055823322 - - 0.2069725635576014 - - -0.23426027852971015 - - 0.21908759636705705 - - - 0.015425567609880168 - - -0.01694792725115363 - - 0.13667138573520834 - - -0.043731348394406545 - - -0.004678302505588689 - - -0.1005817419291588 - - - 0.01990635625019088 - - -0.026603065195755168 - - 0.22597875784194643 - - 0.1523008607394542 - - -0.23292430617186305 - - -0.003694149387645474 - - - -0.01757326610924164 - - -0.0072138193628606476 - - 0.29004952617085683 - - 0.015557619597277238 - - 0.264405465484712 - - 0.14884275236221353 - - - 0.06350841839397293 - - -0.2007891062168419 - - 0.2509623795586707 - - 0.0403982772847234 - - -0.27519868986674173 - - -0.1076549948512827 - - - 0.144866436714498 - - 0.3276066885929812 - - 0.03902425818891063 - - 0.06712100959922077 - - 0.2913826721725787 - - 0.07778411914976882 - - - 0.07414300964307818 - - -0.30423369516536286 - - 0.019564559633640354 - - 0.05902306127350024 - - -0.01911386494958206 - - -0.15023376041296466 - - - -0.11590588963149066 - - 0.15784517437918785 - - 0.24101794619411554 - - 0.0693944582630007 - - 0.007168582437200914 - - -0.0008356945164390818 - - - -0.24833930328371212 - - 0.19852311276541032 - - -0.2019291522658559 - - 0.1858013744058007 - - -0.08144215208054496 - - -0.11196261290570596 - "@version": 1 - activation_function: tanh - bias: true - precision: float64 - resnet: true - use_timestep: false - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - 0.2317938058624115 - - -0.3419742911672889 - - -0.8434159791871425 - - -0.23269105270979937 - - 1.9173196766545815 - - -0.35834941710007606 - idt: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - 0.10695661030608805 - - 0.10677621725323282 - - 0.09039552820776259 - - 0.09960728004983432 - - 0.09186148280590606 - - 0.09209374720740839 - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.062034891216296816 - - -0.0937905607065902 - - -0.23360150275458577 - - -0.06216639809123467 - - 0.5437965385791081 - - -0.09845597541712611 - - - 0.11141538059149475 - - -0.502963331182336 - - 0.18126227027923475 - - -0.22499707822351286 - - 0.055178604117483425 - - -0.29969226515406466 - - - 0.028531241201619394 - - 0.4321631472579381 - - 0.21236706651144754 - - -0.13289564703095377 - - -0.29554574901659825 - - 0.6972891466878551 - - - -0.10467345674704184 - - 0.15286848858995702 - - 0.20553646213229107 - - 0.17777611012193642 - - 0.054431819800798656 - - -0.09807867110327247 - - - -0.1312819869879163 - - 0.06702912047381016 - - 0.0038328215969322473 - - -0.5969901971997936 - - -0.3054373071036792 - - -0.13776734130105026 - - - -0.24304229970009586 - - -0.14179948830240732 - - -0.0384270786359659 - - -0.29919871178342955 - - -0.24037205685908145 - - -0.07895855618207379 - "@version": 1 - activation_function: tanh - bias: true - precision: float64 - resnet: true - use_timestep: true - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - 0.232416569805459 - - -0.34188545314680385 - - -0.8434377939249424 - - -0.23288512768710115 - - 1.9173109128456032 - - -0.35839214381115814 - idt: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - 0.10656143554070321 - - 0.10636277399824608 - - 0.09035508893661415 - - 0.09825995374920035 - - 0.09181810681247685 - - 0.09197155007860285 - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.06194733076479717 - - -0.09375422385255548 - - -0.23359019930062364 - - -0.06213907403276094 - - 0.5438094081955518 - - -0.09843284085049914 - - - 0.1113962338214148 - - -0.5029668605160686 - - 0.18126108566338833 - - -0.22499485745833228 - - 0.05516252742819419 - - -0.2996961338943051 - - - 0.028443365197786577 - - 0.4320355892491772 - - 0.21233346881267426 - - -0.13303250565594066 - - -0.2955464407909278 - - 0.6971506748953329 - - - -0.1022556877555453 - - 0.15245735498394972 - - 0.20552499180888797 - - 0.17705554387325267 - - 0.05444943163629397 - - -0.09835765131838764 - - - -0.13065690871815389 - - 0.06691630874875414 - - 0.0038192664262210445 - - -0.5971577253002498 - - -0.30545361079782546 - - -0.13781351299929495 - - - -0.24279774748623295 - - -0.14184516006190762 - - -0.03841015360224266 - - -0.29925829406317606 - - -0.2403713794013291 - - -0.07897163714710231 - "@version": 1 - activation_function: tanh - bias: true - precision: float64 - resnet: true - use_timestep: true - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - -93.34053536425763 - idt: null - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.08358783906409993 - - - -0.12577778983574597 - - - -0.3092288055902978 - - - -0.09790329366295483 - - - 0.7116503152192476 - - - -0.14692712731128055 - "@version": 1 - activation_function: none - bias: true - precision: float64 - resnet: false - use_timestep: false - neuron: - - 6 - - 6 - - 6 - out_dim: 1 - precision: float64 - resnet_dt: true - - "@class": FittingNetwork - "@version": 1 - activation_function: tanh - bias_out: true - in_dim: 32 - layers: - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - 0.23506767402298614 - - -0.34490276328162434 - - -0.8290940906132122 - - -0.2347045437003776 - - 1.9170608226716597 - - -0.36044349814174337 - idt: null - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.04831519159491291 - - -0.04876875853943082 - - -0.12810573386327823 - - -0.0305732510802645 - - 0.31722678551471983 - - -0.05065010245898655 - - - 0.06735512954511182 - - -0.2699197216860359 - - 0.11378036003304765 - - -0.11329981850104967 - - 0.034080341934173544 - - -0.15492149701554964 - - - 0.021386993810995552 - - 0.2550260604047626 - - 0.13105349055299784 - - -0.062164037935228324 - - -0.1628426976017202 - - 0.4048617534539736 - - - -0.0468955250294512 - - 0.09147035077555231 - - 0.11898853507243569 - - 0.10571584665318037 - - 0.04219507915311039 - - -0.06518361876516607 - - - -0.059042752239213445 - - 0.04033756111091199 - - 0.01358207134926597 - - -0.3322035130580017 - - -0.16837832030981406 - - -0.07375224889767355 - - - -0.12365310414509866 - - -0.07524980352992461 - - -0.018337726047800672 - - -0.16333902452023 - - -0.12345756318922903 - - -0.03939448009404646 - - - 0.18044841432127 - - 0.049983014110464206 - - -0.0073553473273168 - - -0.12151791696381409 - - -0.09864249081578137 - - 0.3149020161355859 - - - -0.19367668595439277 - - -0.04580235860478575 - - 0.12226031466309506 - - -0.08574822773541323 - - -0.21417095109481696 - - -0.016634509850808405 - - - 0.03780448947997305 - - 0.19477029733924664 - - -0.048273061293721366 - - -0.051479481614886344 - - 0.2969342558524966 - - -0.023011263818238852 - - - -0.38183385877101417 - - 0.09433202405626652 - - 0.03220969117094328 - - -0.05385804074887713 - - 0.0073934518906007074 - - 0.013698291282754961 - - - 0.18344626563451444 - - 0.021673581218026462 - - -0.20470884076660287 - - 0.054176948474959394 - - -0.08952438821867399 - - 0.015947792785095203 - - - -0.08026573805751272 - - 0.243607218230635 - - 0.04060457117081528 - - 0.3405425150476867 - - -0.011093558800492499 - - 0.012651952140937214 - - - -0.05837637848655279 - - -0.08682157804145313 - - 0.17007817760463284 - - 0.03310831044532029 - - -0.24120642648759566 - - -0.21975780544348295 - - - 0.22900863564894786 - - 0.15773175081019883 - - 0.15857790256456403 - - 0.018958457092080796 - - -0.08063745072704483 - - -0.12798428521717325 - - - -0.14838267143438205 - - 0.3838706232428283 - - 0.106913697561013 - - 0.04313122539097245 - - 0.3283292595204647 - - 0.23661963690707152 - - - -0.13094334318860604 - - -0.13265230079174592 - - -0.046430344173989974 - - 0.028953768792207554 - - -0.027859801426457782 - - -0.1662139964234761 - - - 0.0009085619649995601 - - 0.16905946898558477 - - 0.21391137614446043 - - -0.16100628603419595 - - -0.08014797901130415 - - -0.17380351476564224 - - - 0.10196248473154608 - - 0.04812539873285956 - - 0.006804390603117201 - - -0.11353235912528856 - - 0.15423126918576927 - - -0.21584418123684648 - - - -0.08980180335506731 - - 0.267546128635027 - - 0.1798702894050068 - - 0.024074031497241022 - - 0.07732881229502203 - - 0.1376723864240822 - - - -0.18429482392457355 - - -0.30345953434609807 - - -0.036899551897504525 - - -0.0298789197227073 - - -0.08884666683604366 - - -0.13161365589688787 - - - 0.11016056941307324 - - -0.07270147038205747 - - 0.11716707294984549 - - -0.024712375817454366 - - 0.19183575613382892 - - 0.09271400860862174 - - - -0.027693345714731015 - - 0.13530172277329225 - - -0.04016352016611185 - - -0.044050000080934286 - - -0.039454423260599225 - - -0.04665697152557061 - - - 0.09112293768490738 - - -0.045636003090917976 - - -0.09218912498015679 - - 0.056560592379230626 - - -0.2895112301164962 - - -0.08134900052298905 - - - -0.22106157989488365 - - -0.027704144893614467 - - 0.1662006913693072 - - 0.20753918936377797 - - -0.2343923125218513 - - 0.21830186458792025 - - - 0.015878148461980667 - - -0.017621357504407475 - - 0.1362249555048541 - - -0.04373045698960947 - - -0.004796555382235739 - - -0.09897191854411638 - - - 0.02036729716152795 - - -0.027294288876267867 - - 0.22554213968193296 - - 0.152318486957465 - - -0.23304215492075372 - - -0.0006187122954250442 - - - -0.01712156762756013 - - -0.007933839596236407 - - 0.28961590595419623 - - 0.015578451540580867 - - 0.26428787473897647 - - 0.15472257068756795 - - - 0.06386505971250024 - - -0.20190101556238316 - - 0.2505303733329129 - - 0.04067850703765836 - - -0.27532956026582056 - - -0.10819333948906658 - - - 0.1452799863482939 - - 0.3267538669897825 - - 0.0385956686574302 - - 0.06717558812265294 - - 0.2912605818946151 - - 0.09082447695437647 - - - 0.07455759436154291 - - -0.30511503242151095 - - 0.019145375007718304 - - 0.05911633865114398 - - -0.019234807730461767 - - -0.13695770744866376 - - - -0.11550391636672337 - - 0.15692003320319475 - - 0.24060114381417838 - - 0.06950735409873013 - - 0.007047843010209118 - - 0.012037736457996294 - - - -0.24801540053907187 - - 0.2009172157612739 - - -0.2023460465896789 - - 0.1892143052053441 - - -0.0815757542546244 - - -0.1127755008588827 - "@version": 1 - activation_function: tanh - bias: true - precision: float64 - resnet: true - use_timestep: false - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - 0.23635669634541367 - - -0.3419078758363463 - - -0.8432807301017625 - - -0.2471114233267454 - - 1.9174596995787678 - - -0.3581097267170867 - idt: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - 0.10651651590518466 - - 0.10564605063747964 - - 0.0904588032728583 - - 0.08864582061199953 - - 0.09193864389908483 - - 0.09229464330061576 - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.06198187921257256 - - -0.09374020008373515 - - -0.233555339764872 - - -0.06233399165840515 - - 0.5437286136704437 - - -0.09840153191181254 - - - 0.11096518158819955 - - -0.5024534686804496 - - 0.18156131834141473 - - -0.22462659225533585 - - 0.055070028923079085 - - -0.2991903069658005 - - - 0.02674958926717308 - - 0.43452929270586876 - - 0.2127478036461703 - - -0.13240847728080257 - - -0.29555784341914454 - - 0.6992688412377688 - - - -0.10415987505805697 - - 0.1515313621061482 - - 0.2053749404984042 - - 0.17890760035819125 - - 0.054353390667490106 - - -0.09898467098701165 - - - -0.13095668033552374 - - 0.06636433205316533 - - 0.004022174362137633 - - -0.5968390440663046 - - -0.3052428988226324 - - -0.13789979334395516 - - - -0.24327598673253817 - - -0.14163772920674755 - - -0.03846643331478118 - - -0.29887073654413976 - - -0.24041204708712902 - - -0.07887402118652026 - "@version": 1 - activation_function: tanh - bias: true - precision: float64 - resnet: true - use_timestep: true - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - 0.23231043056506806 - - -0.3419857226041691 - - -0.8433073964113782 - - -0.24698064091656383 - - 1.9174495609687248 - - -0.3582516536504443 - idt: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - 0.10574609628750987 - - 0.105155164620562 - - 0.09041055785085775 - - 0.0886158539432571 - - 0.09189711584838568 - - 0.09206953426940044 - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.0618843211677973 - - -0.09370880363384601 - - -0.23354152964418978 - - -0.06230667275680251 - - 0.5437406391712122 - - -0.09837497288050784 - - - 0.11085785512940859 - - -0.5024729802564437 - - 0.18155221439331118 - - -0.224637460149936 - - 0.05505649535002688 - - -0.2991913368522169 - - - 0.025712098504141113 - - 0.4339793518670155 - - 0.21268970379756472 - - -0.13259310019846304 - - -0.29556465284509303 - - 0.6989538154210985 - - - -0.09931006695796857 - - 0.15088965136888108 - - 0.20536057384338222 - - 0.17877291312187604 - - 0.05437323342274925 - - -0.09966968964589057 - - - -0.13045325148675846 - - 0.06631478371673086 - - 0.004009658583143575 - - -0.5967827139360108 - - -0.30526498152361 - - -0.1380136727841118 - - - -0.24314581578280128 - - -0.14162895421259108 - - -0.03845251465400865 - - -0.29885771140455225 - - -0.24040834408582265 - - -0.07887667422093692 - "@version": 1 - activation_function: tanh - bias: true - precision: float64 - resnet: true - use_timestep: true - - "@class": Layer - "@variables": - b: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - -186.9132831671284 - idt: null - w: - "@class": np.ndarray - "@is_variable": true - "@version": 1 - dtype: float64 - value: - - - 0.08353518244900393 - - - -0.12626038859185104 - - - -0.31056764244764895 - - - -0.09671411910583337 - - - 0.7119955888260832 - - - -0.14702488414189077 - "@version": 1 - activation_function: none - bias: true - precision: float64 - resnet: false - use_timestep: false - neuron: - - 6 - - 6 - - 6 - out_dim: 1 - precision: float64 - resnet_dt: true - ntypes: 2 - neuron: &id005 - - 6 - - 6 - - 6 - ntypes: 2 - numb_aparam: 0 - numb_fparam: 0 - precision: float64 - rcond: 0.001 - resnet_dt: true - spin: null - tot_ener_zero: false - trainable: - - true - - true - - true - - true - type: ener - type_map: *id001 - use_aparam_as_mask: false - var_name: energy - pair_exclude_types: [] - preset_out_bias: null - rcond: null - type: standard - type_map: *id001 -model_def_script: - data_bias_nsample: 10 - data_stat_nbatch: 10 - data_stat_protect: 0.01 - descriptor: - activation_function: tanh - axis_neuron: 4 - exclude_types: [] - neuron: *id002 - precision: default - rcut: 6.0 - rcut_smth: 0.5 - resnet_dt: false - seed: 1 - sel: *id003 - set_davg_zero: false - trainable: true - type: se_e2_a - type_one_side: false - fitting_net: - activation_function: tanh - atom_ener: *id004 - neuron: *id005 - numb_aparam: 0 - numb_fparam: 0 - precision: default - rcond: 0.001 - resnet_dt: true - seed: 1 - trainable: true - type: ener - type_map: *id001 -software: deepmd-kit -tf_version: 2.15.0 -time: "2024-07-26 20:44:52.386315" -version: 3.0.0b3.dev27+gfda408f1c.d20240726 diff --git a/source/tests/infer/test_models.py b/source/tests/infer/test_models.py index b8183585ac..60b749c3de 100644 --- a/source/tests/infer/test_models.py +++ b/source/tests/infer/test_models.py @@ -39,7 +39,7 @@ def setUpClass(cls) -> None: key, extension = cls.param if extension in (".pte", ".pt2") and not INSTALLED_PT_EXPT: raise unittest.SkipTest("pt_expt backend not installed") - if key in ("se_e2_a", "se_e2_r") and extension in (".pte", ".pt2"): + if key == "se_e2_r" and extension in (".pte", ".pt2"): raise unittest.SkipTest( "type_one_side=False is not supported for pt_expt export" ) From 86b1e1bbe62d07c919a0ab457709cf9e79f35a27 Mon Sep 17 00:00:00 2001 From: Han Wang Date: Fri, 15 May 2026 11:43:58 +0800 Subject: [PATCH 2/3] =?UTF-8?q?test(infer):=20per-key=20tolerance=20?= =?UTF-8?q?=E2=80=94=20tighten=20se=5Fe2=5Fa=20/=20se=5Fe2=5Fr=20to=201e-1?= =?UTF-8?q?2?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Empirical residuals for the four backends (.pb / .pth / .pte / .pt2) on the fp64 fixtures: se_e2_a (deeppot_sea source): max abs ~1e-16 across all backends fparam_aparam (1-type + fparam): max abs 3e-16 between .pth/.pte/.pt2 max abs ~2e-8 between .pb and .pth The existing default_places=7 (~5e-8 abs) had ~10 orders of magnitude headroom on the round-off-tight cases, hiding any conversion drift up to that floor. Bumping uniformly to 12 (~5e-13 abs) breaks fparam_aparam cross-backend because the TF kernel reorders ops enough to drift at ~1e-8 vs PyTorch. Resolve by per-key tolerance: keys whose cross-backend agreement lands within fp64 round-off get STRICT_PLACES=12; others stay at the historical default_places=7 floor. The tolerance is wired through cls.places, set in setUpClass of both TestDeepPot and TestDeepPotNeighborList, and every np.testing.assert_almost_equal in the body uses self.places. --- source/tests/infer/test_models.py | 83 +++++++++++++++++-------------- 1 file changed, 45 insertions(+), 38 deletions(-) diff --git a/source/tests/infer/test_models.py b/source/tests/infer/test_models.py index 60b749c3de..2e6295afaf 100644 --- a/source/tests/infer/test_models.py +++ b/source/tests/infer/test_models.py @@ -20,7 +20,16 @@ get_cases, ) +# Per-key tolerance. Keys whose cross-backend (TF ↔ PyTorch) outputs +# happen to land within fp64 round-off get `STRICT_PLACES`; keys where +# the TF kernel reorders ops enough to drift at ~1e-8 (observed for +# `fparam_aparam`: 1-type se_e2_a with fparam/aparam plumbing) stay at +# `default_places`. Without per-key tolerance, tightening uniformly +# would either let real conversion regressions hide behind 1e-7 (too +# loose) or break legitimate cross-backend cases at 1e-12 (too strict). default_places = 7 +STRICT_PLACES = 12 +STRICT_KEYS = frozenset(("se_e2_a", "se_e2_r")) @parameterized( @@ -47,6 +56,7 @@ def setUpClass(cls) -> None: raise unittest.SkipTest( "se_e2_r type_one_side is not supported for PyTorch models" ) + cls.places = STRICT_PLACES if key in STRICT_KEYS else default_places cls.case = get_cases()[key] if extension == ".pt2": import torch @@ -70,9 +80,7 @@ def tearDownClass(cls) -> None: def test_attrs(self) -> None: assert isinstance(self.dp, DeepPot) self.assertEqual(self.dp.get_ntypes(), self.case.ntypes) - self.assertAlmostEqual( - self.dp.get_rcut(), self.case.rcut, places=default_places - ) + self.assertAlmostEqual(self.dp.get_rcut(), self.case.rcut, places=self.places) self.assertEqual(self.dp.get_type_map(), self.case.type_map) self.assertEqual(self.dp.get_dim_fparam(), self.case.dim_fparam) self.assertEqual(self.dp.get_dim_aparam(), self.case.dim_aparam) @@ -97,21 +105,21 @@ def test_1frame(self) -> None: np.testing.assert_almost_equal( ff.ravel(), result.force.ravel(), - default_places, + self.places, err_msg=f"Result {ii} force", ) expected_se = np.sum(result.atomic_energy.reshape([nframes, -1]), axis=1) np.testing.assert_almost_equal( ee.ravel(), expected_se.ravel(), - default_places, + self.places, err_msg=f"Result {ii} energy", ) expected_sv = np.sum(result.atomic_virial.reshape([nframes, -1, 9]), axis=1) np.testing.assert_almost_equal( vv.ravel(), expected_sv.ravel(), - default_places, + self.places, err_msg=f"Result {ii} virial", ) @@ -137,33 +145,33 @@ def test_1frame_atm(self) -> None: np.testing.assert_almost_equal( ff.ravel(), result.force.ravel(), - default_places, + self.places, err_msg=f"Result {ii} force", ) np.testing.assert_almost_equal( ae.ravel(), result.atomic_energy.ravel(), - default_places, + self.places, err_msg=f"Result {ii} atomic energy", ) np.testing.assert_almost_equal( av.ravel(), result.atomic_virial.ravel(), - default_places, + self.places, err_msg=f"Result {ii} atomic virial", ) expected_se = np.sum(result.energy.reshape([nframes, -1]), axis=1) np.testing.assert_almost_equal( ee.ravel(), expected_se.ravel(), - default_places, + self.places, err_msg=f"Result {ii} energy", ) expected_sv = np.sum(result.virial.reshape([nframes, -1, 9]), axis=1) np.testing.assert_almost_equal( vv.ravel(), expected_sv.ravel(), - default_places, + self.places, err_msg=f"Result {ii} virial", ) @@ -182,7 +190,9 @@ def test_descriptor(self) -> None: aparam=result.aparam, ) expected_descpt = result.descriptor - np.testing.assert_almost_equal(descpt.ravel(), expected_descpt.ravel()) + np.testing.assert_almost_equal( + descpt.ravel(), expected_descpt.ravel(), self.places + ) # See #4533 descpt = self.dp.eval_descriptor( result.coord, @@ -192,7 +202,9 @@ def test_descriptor(self) -> None: aparam=result.aparam, ) expected_descpt = result.descriptor - np.testing.assert_almost_equal(descpt.ravel(), expected_descpt.ravel()) + np.testing.assert_almost_equal( + descpt.ravel(), expected_descpt.ravel(), self.places + ) def test_fitting_last_layer(self) -> None: _, extension = self.param @@ -209,7 +221,9 @@ def test_fitting_last_layer(self) -> None: aparam=result.aparam, ) expected_fit_ll = result.fit_ll - np.testing.assert_almost_equal(fit_ll.ravel(), expected_fit_ll.ravel()) + np.testing.assert_almost_equal( + fit_ll.ravel(), expected_fit_ll.ravel(), self.places + ) fit_ll = self.dp.eval_fitting_last_layer( result.coord, result.box, @@ -218,7 +232,9 @@ def test_fitting_last_layer(self) -> None: aparam=result.aparam, ) expected_fit_ll = result.fit_ll - np.testing.assert_almost_equal(fit_ll.ravel(), expected_fit_ll.ravel()) + np.testing.assert_almost_equal( + fit_ll.ravel(), expected_fit_ll.ravel(), self.places + ) def test_2frame_atm(self) -> None: for ii, result in enumerate(self.case.results): @@ -251,23 +267,13 @@ def test_2frame_atm(self) -> None: expected_v = np.concatenate( (result.atomic_virial, result.atomic_virial), axis=0 ) - np.testing.assert_almost_equal( - ff.ravel(), expected_f.ravel(), default_places - ) - np.testing.assert_almost_equal( - ae.ravel(), expected_e.ravel(), default_places - ) - np.testing.assert_almost_equal( - av.ravel(), expected_v.ravel(), default_places - ) + np.testing.assert_almost_equal(ff.ravel(), expected_f.ravel(), self.places) + np.testing.assert_almost_equal(ae.ravel(), expected_e.ravel(), self.places) + np.testing.assert_almost_equal(av.ravel(), expected_v.ravel(), self.places) expected_se = np.sum(expected_e.reshape([nframes, -1]), axis=1) - np.testing.assert_almost_equal( - ee.ravel(), expected_se.ravel(), default_places - ) + np.testing.assert_almost_equal(ee.ravel(), expected_se.ravel(), self.places) expected_sv = np.sum(expected_v.reshape([nframes, -1, 9]), axis=1) - np.testing.assert_almost_equal( - vv.ravel(), expected_sv.ravel(), default_places - ) + np.testing.assert_almost_equal(vv.ravel(), expected_sv.ravel(), self.places) def test_zero_input(self) -> None: _, extension = self.param @@ -299,9 +305,9 @@ def test_zero_input(self) -> None: self.assertEqual(ff.shape, (nframes, natoms, 3)) self.assertEqual(vv.shape, (nframes, 9)) # check values - np.testing.assert_almost_equal(ff.ravel(), 0, default_places) - np.testing.assert_almost_equal(ee.ravel(), 0, default_places) - np.testing.assert_almost_equal(vv.ravel(), 0, default_places) + np.testing.assert_almost_equal(ff.ravel(), 0, self.places) + np.testing.assert_almost_equal(ee.ravel(), 0, self.places) + np.testing.assert_almost_equal(vv.ravel(), 0, self.places) def test_ase(self) -> None: from ase import ( @@ -329,14 +335,14 @@ def test_ase(self) -> None: np.testing.assert_almost_equal( ff.ravel(), result.force.ravel(), - default_places, + self.places, err_msg=f"Result {ii} force", ) expected_se = np.sum(result.atomic_energy.reshape([nframes, -1]), axis=1) np.testing.assert_almost_equal( ee.ravel(), expected_se.ravel(), - default_places, + self.places, err_msg=f"Result {ii} energy", ) @@ -365,21 +371,21 @@ def test_dpdata_driver(self) -> None: np.testing.assert_almost_equal( system_predicted["forces"].ravel(), result.force.ravel(), - default_places, + self.places, err_msg=f"Result {ii} force", ) expected_se = np.sum(result.energy.reshape([nframes, -1]), axis=1) np.testing.assert_almost_equal( system_predicted["energies"].ravel(), expected_se.ravel(), - default_places, + self.places, err_msg=f"Result {ii} energy", ) expected_sv = np.sum(result.virial.reshape([nframes, -1, 9]), axis=1) np.testing.assert_almost_equal( system_predicted["virials"].ravel(), expected_sv.ravel(), - default_places, + self.places, err_msg=f"Result {ii} virial", ) @@ -398,6 +404,7 @@ class TestDeepPotNeighborList(TestDeepPot): @classmethod def setUpClass(cls) -> None: key, extension = cls.param + cls.places = STRICT_PLACES if key in STRICT_KEYS else default_places cls.case = get_cases()[key] model_name = cls.case.get_model(extension) cls.dp = DeepEval( From 79a03039bd833a830b3c88434eb750bbe23faf06 Mon Sep 17 00:00:00 2001 From: Han Wang Date: Fri, 15 May 2026 14:44:32 +0800 Subject: [PATCH 3/3] fix(infer): strip internal fields from deeppot_sea model_def_script deeppot_sea.yaml's embedded model_def_script carried internal fields that the TF Frozen model loader couldn't accept as user-facing args: descriptor: ntypes, _comment2 fitting_net: ntypes, mixed_types, embedding_width, dim_descrpt, _comment3 top-level: _comment4, resuming When source/tests/consistent/model/test_frozen.py reconstructs the TF model from the script, deepmd.tf.descriptor.Descriptor receives ntypes twice (once from len(type_map), once from the script kwarg) and crashes with: TypeError: Descriptor() got multiple values for keyword argument 'ntypes'. 11 cases failed across 3 model file types (.dp, .pb, .pth) times 4 test methods. Strip the offending fields from both the source yaml and the case yaml's pinned model_def_script so they stay in sync after the next convert-backend round-trip. --- source/tests/infer/deeppot-testcase.yaml | 9 --------- source/tests/infer/deeppot_sea.yaml | 9 --------- 2 files changed, 18 deletions(-) diff --git a/source/tests/infer/deeppot-testcase.yaml b/source/tests/infer/deeppot-testcase.yaml index 1a7804faf7..64cbe2a23b 100644 --- a/source/tests/infer/deeppot-testcase.yaml +++ b/source/tests/infer/deeppot-testcase.yaml @@ -25,8 +25,6 @@ model_def_script: "axis_neuron": 2, "precision": "float64", "seed": 1, - "_comment2": " that's all", - "ntypes": 2, }, "fitting_net": { @@ -34,15 +32,8 @@ model_def_script: "resnet_dt": True, "precision": "float64", "seed": 1, - "_comment3": " that's all", "type": "ener", - "ntypes": 2, - "mixed_types": False, - "embedding_width": 24, - "dim_descrpt": 24, }, - "_comment4": " that's all", - "resuming": True, } results: # ---- Block 1: PBC, 13x13x13 box ---- diff --git a/source/tests/infer/deeppot_sea.yaml b/source/tests/infer/deeppot_sea.yaml index f51e0cdc0d..c719c4620d 100644 --- a/source/tests/infer/deeppot_sea.yaml +++ b/source/tests/infer/deeppot_sea.yaml @@ -3933,15 +3933,12 @@ model: - O - H model_def_script: - _comment4: " that's all" descriptor: - _comment2: " that's all" axis_neuron: 2 neuron: - 3 - 6 - 12 - ntypes: 2 precision: float64 rcut: 6.0 rcut_smth: 0.5 @@ -3952,20 +3949,14 @@ model_def_script: - 92 type: se_e2_a fitting_net: - _comment3: " that's all" - dim_descrpt: 24 - embedding_width: 24 - mixed_types: false neuron: - 10 - 10 - 10 - ntypes: 2 precision: float64 resnet_dt: true seed: 1 type: ener - resuming: true type_map: - O - H