deepmd/.gitignore,sha256=piBeTEfzk2_Z8V-_uq1oOin_BzTFarVK0hOZvAxy8Zg,28
deepmd/__about__.py,sha256=3AjDeSCdkPC1vxmkvVcBVS73oMhbi5EDm3elgsg145E,71
deepmd/__init__.py,sha256=89utsJFXtXJhqHTWo30LgtGw_Fpjm7KR9hOA4l8Op1U,1131
deepmd/__main__.py,sha256=skhGRbi3w1cqr4OdWHL7ypJYKshkK1wvulU5ZigP07w,168
deepmd/calculator.py,sha256=wO4SXkPbxCWCu46qD0SIWjQ4ugAfUHSuMjK8_i-VVJ8,4278
deepmd/cluster/__init__.py,sha256=QRlIcfHAumbVmv8JEbzqBaZwCfs6hNxwGDCiGxrRmxo,719
deepmd/cluster/local.py,sha256=-XF-N9na0F7ufqoXs7nWr0FyVz-dhdVz_GQ6c93EqIw,1834
deepmd/cluster/slurm.py,sha256=HJIRy4WmyZfLJql2pcWhIIE2TM0wpnax2gKCWwkYCHE,1555
deepmd/common.py,sha256=ezVqzHh7XQeAszD6G94kYXLf5ExFDxn_0JOPI9Hfpeo,13362
deepmd/descriptor/__init__.py,sha256=iDi9sWXL9RWp6ITlne5gz8uFXKwZc5uCt38oA_PvUOA,864
deepmd/descriptor/descriptor.py,sha256=JFQrSxNetmRtQtflU6GCNDecnfjclS7q2szVPD1QmsA,16184
deepmd/descriptor/hybrid.py,sha256=SnkksgeHle5_Jmu2Nj_48trG9Wp1pgnncWGkzOGinno,13905
deepmd/descriptor/loc_frame.py,sha256=t31_M7UfqkmZ7zesXJun6U7J7ilXjboGOSIcprI_sPA,15442
deepmd/descriptor/se.py,sha256=e0GCojnfULf2M5kZWlzm7iWYWu1sqAjWr1UHYNh5D8g,4110
deepmd/descriptor/se_a.py,sha256=NMsZ_dXOWuygdHy7Uuasp6jBZ0icKX_QdFF_LsE4GvY,44756
deepmd/descriptor/se_a_ebd.py,sha256=b1V14cMhlhvib4mRGXqaBs5OxgCu4IKLP3J3IQzW1ZM,21293
deepmd/descriptor/se_a_ef.py,sha256=VArAiSgPqleIhsGUF6y1xW07wx2O68YWAPz5RMg1OE0,20372
deepmd/descriptor/se_a_mask.py,sha256=LvjB7OWT52LiPb1nDnQ7EF2-PaRstiEadA7NIwcdnU8,16129
deepmd/descriptor/se_atten.py,sha256=xWHaYbOBvMJqg997dbfUuZauln6VA0bE7Mz6uzsaQzM,58281
deepmd/descriptor/se_atten_v2.py,sha256=Z28ujEIi_ZH9Vey3GmEFDTcjpY3a5o7JdHMgtg1lwG0,3951
deepmd/descriptor/se_r.py,sha256=Aj_kdlCkZSP3Yvoe2oJLNItBF7T44w1732Us8gemA4s,25373
deepmd/descriptor/se_t.py,sha256=yc_UdXDCnUIyfkcNhH4LxHw9AcLdMwxbo4Kx7BnqZmU,26268
deepmd/entrypoints/__init__.py,sha256=K5RMeiDzODkkYGMRb0oIdZHhfb_SFwdxOOLYLFqHHaw,838
deepmd/entrypoints/compress.py,sha256=k4A62Ea-xgL44v07CVcdsDlbVnrNeCR2QVXpr6EwxGU,6505
deepmd/entrypoints/convert.py,sha256=FbzLQwghMJedgkczVVEPWHzHhPFO7G1Sie4eHiwLHC4,1034
deepmd/entrypoints/doc.py,sha256=Bekh_PXtfciQBu28Lar2NJL_xx5KyJn3GL-jD8ODSqs,558
deepmd/entrypoints/freeze.py,sha256=DxVGoh1N_KCI6YbR0ZsfIU9MKLuE1NX--oOMZvepHjQ,19013
deepmd/entrypoints/ipi.py,sha256=fMU_O6X0x-P97hOTk_XB7Xd4BTas3qFBjn47NZ0pFP4,697
deepmd/entrypoints/main.py,sha256=otLYxfVmws2MAhzHua0dxevWyn-wrF1Upzqpk-7tyLQ,2555
deepmd/entrypoints/neighbor_stat.py,sha256=Jh4tEKbBcUO1ac_m-ZPNIDa4vhi9fRlNSgA2krodAXY,1687
deepmd/entrypoints/test.py,sha256=CwGIYT9sG5HuAe8ndLb-RH0sMsOLz5Xi0RF_6XN2PWg,32278
deepmd/entrypoints/train.py,sha256=5z38xOpG-ysw1yqvCFnxwYgw5qrSQpB0Z9YH3ohYrTM,16944
deepmd/entrypoints/transfer.py,sha256=EGKu3YHEco_ywuojdx0Xs1nGPJ9AL95MweRsf4gZrpY,8315
deepmd/env.py,sha256=FCP_MlZT7q75zQ037Ajs7abpWYgx_-581EXfHkrj87Y,16306
deepmd/fit/__init__.py,sha256=UNdn_eg3CdBkmEao5CDmbiAregwqJgzCpCQnCknk_kA,445
deepmd/fit/dipole.py,sha256=pmZQGvZn8zg4QJhbzAVHyaJNPRObjoyGNiMv_xUT31U,11761
deepmd/fit/dos.py,sha256=eCBrZbNoIb-lk_A8uFB50fS0BADCDuaCE-JSbntXUx8,24285
deepmd/fit/ener.py,sha256=_fUvFSY-OzSsejFhCguDp6igZQXt15db2k6F1hFJOJg,37266
deepmd/fit/fitting.py,sha256=cCiWfsCdzg9avJv003vFcJ185jXK8tz0mGlzOXsDkww,2599
deepmd/fit/polar.py,sha256=MeBCiLLpKeYyMwU8oTMasxH-TW9G_aw0qdeA05TEEFU,25974
deepmd/infer/__init__.py,sha256=Zjl9apqtVV9uab1fXFhgw90t-OJPJkxs0ISvbWxmCss,3408
deepmd/infer/data_modifier.py,sha256=517Z4jxAl-s0W_HTV1NMxfU5eZBiZbuo6kjDyWBvr3c,16715
deepmd/infer/deep_dipole.py,sha256=3l_7ocvflkENKPYyM7ZPxErkYjZZBg-DOf70_wJc1Zw,1952
deepmd/infer/deep_dos.py,sha256=M3h5r8q4aN5rfAz21dy_DWbc36hOqyOdwj2Mn8D9Iss,17145
deepmd/infer/deep_eval.py,sha256=3Q-Qs603-O1qK6hE4iwJ2QplzHA4152646E7hLHvchg,12101
deepmd/infer/deep_polar.py,sha256=K4Faj5MzolRHo48roKb3JUFp8pzCFfIbA8qPF0SwbBU,4469
deepmd/infer/deep_pot.py,sha256=vYKD4pkUAe1p4sPi9fhfrhusvLzteVHc0TMfR7JR_yg,22867
deepmd/infer/deep_tensor.py,sha256=TpzHP1JRQj1q95IE7qSk40GgrA-XpgsRpjHrHuemlPg,13412
deepmd/infer/deep_wfc.py,sha256=mCcj5Tdrx51GAyvRfNbtDIH_3EeLZ1jk_T5qQjsAuus,1944
deepmd/infer/ewald_recp.py,sha256=TsRvbSs5V90NDeeYn1ezh8vJsJ6ZLX_WNCHEQT3U_Tk,2789
deepmd/infer/model_devi.py,sha256=JoM1vOr5gzzYweegUuYN6opu8wXBiIrJYQIUJz4npj8,16417
deepmd/lib/__init__.py,sha256=3LningOjkZlld-49ThLVa-1yXGdRkAJr6aypIotqOC0,80
deepmd/lib/deepmd.dll,sha256=dRk_YTTE4BCK7KGEBIxZTTAhJYNDA10xtGNLCdsWJLs,258048
deepmd/lib/deepmd.lib,sha256=MepGMClEJ8ohc3jCp8pJ8-HxH9rDUcPKfYoqOggCGPo,216426
deepmd/lib/deepmd_op.dll,sha256=HG1E9nEdFdGj0HMT2i5YdUHugpdpN4WXSHnie8-F9IE,814592
deepmd/lib/op_grads.dll,sha256=RCq1nN5hWXCm72d-3NIoDeGKTIpIOYz_w2Vg6_Kdvj0,160256
deepmd/lib/run_config.ini,sha256=p3l8csZq-qOERjeKnSuPRUbtEwn5DmZQR_AXx6HoqYU,473
deepmd/lmp.py,sha256=jHtmKnmhs1dE1LJCIl1ba9Z3jnvQ2tLnvcyUaOkT82w,2732
deepmd/loggers/__init__.py,sha256=EE8z8LRK1mRqDt7OkMcIM1Yml6VaQW_pwjeZbAkNh-E,175
deepmd/loggers/loggers.py,sha256=sho3FusQl2jUSAZlEEPgkr9j-l1YK1jq49qgfSrsx20,9105
deepmd/loss/__init__.py,sha256=sARK0opX94sCdWYvS3evOTqg3mOF2RpNjqNywaAM-s8,325
deepmd/loss/dos.py,sha256=27dXkc47qK2U48X6wGNzOl436ZMu-zhsNl5U3hzkg1s,7938
deepmd/loss/ener.py,sha256=KwaAxnOPbEdFsb6FV1perVptSCGQz5WX-1-Lj_r7j04,32693
deepmd/loss/loss.py,sha256=Po2hoPDh8NcU6gnaXL79dJqRtgzpj5f-8DhFS1ik98Y,1848
deepmd/loss/tensor.py,sha256=JPTe2Yjp1BV_LVn-L0gUMkIiEXl1z5OhtZ54ma6B1eY,5767
deepmd/model/__init__.py,sha256=SNwsGbLAqlcDEVnbOcNvzgxa8Y43zmF4O8kXaORLZCw,418
deepmd/model/dos.py,sha256=yZx4v9Vfgl6n_pvvji-2aOAyihcFuX9980ji7PXaXCA,7348
deepmd/model/ener.py,sha256=oaG0_wcRA2HHremOEJ1nSnMX7cOwh7MU7R5sTt4zYpM,18952
deepmd/model/frozen.py,sha256=sza2dQ0RUORoiiZokdeG_e_mNv_E4sXxvXNQ7M8n25Y,5966
deepmd/model/linear.py,sha256=5u0X1k4k4UENsQvIz8zPrzl_0DqZRk9D_QxY5EJkOfE,8238
deepmd/model/model.py,sha256=Wq8eMqznQvAiAsjOSJTla0b5wayqMvKJo3O5B8Nm1WQ,20616
deepmd/model/model_stat.py,sha256=hZUyTAB91ZBbAwrKfBvITwgRGXXvXBb75XBq1CCqQh0,2054
deepmd/model/multi.py,sha256=z-6AssIOjli6MEh59uwlr3h5CL1H2_YXz7rhfDBvMIc,24361
deepmd/model/pairwise_dprc.py,sha256=Dmf-t6kSouWfFjiClwh6oM2KUW5dbPPLwHFa0HdX7gM,14018
deepmd/model/tensor.py,sha256=FJwZOiHCinq5xVZ45moXDQ7kXB3Kc0SBbDZBH1yshOc,8340
deepmd/nvnmd/__init__.py,sha256=akoyvTvd5-tE5-vAnyGbMRsSRIeK4Xyd77Jgzx6l0aI,230
deepmd/nvnmd/data/__init__.py,sha256=a-tu6pEBxH5c7cGOXDya17PZ9FBhY3sUcrof9nBuXCY,1050
deepmd/nvnmd/data/data.py,sha256=l5E0vBDMD1tE9ayn0iaExoARSktjmdm1l1DOCyXrRSE,9957
deepmd/nvnmd/descriptor/__init__.py,sha256=W4AL4ckaAhgbt_IF2TXKXwCa866IpVOpUod9lx4-PGE,216
deepmd/nvnmd/descriptor/se_a.py,sha256=yMDg3oovKva-WSp5zmQN6RtFpZ7RfHFYm02UBnCAXtw,12784
deepmd/nvnmd/descriptor/se_atten.py,sha256=bRkXxz8Ad7vRsG228Z86O97IMTFre6PaQ2Dsto3clWs,11414
deepmd/nvnmd/entrypoints/__init__.py,sha256=PfZUcds2916aWwoFfMkkXNB9ym_SBGPt3bM9a_Aa6iM,213
deepmd/nvnmd/entrypoints/freeze.py,sha256=R_VErfmpAfO0zqpQFuaU5p3z4RHZTVrbiiuUN8UPfHo,2756
deepmd/nvnmd/entrypoints/mapt.py,sha256=n-yaFmwzUo-EhLHcm00q2NnOD3IDBCM4Uf6KAzsXOe4,22216
deepmd/nvnmd/entrypoints/train.py,sha256=fyytYWswiaM4YKLJ2zBXS0uVGNqdnSIRgMOthHD297Y,6344
deepmd/nvnmd/entrypoints/wrap.py,sha256=obGMSII7Yi3glPeNlphli9kTcOIerTCi_yok4tKUSXc,19804
deepmd/nvnmd/fit/__init__.py,sha256=Mj7wBr5dCGHZ4O3EJk6kliz1wlEDtFc-gMY69s8DyLQ,160
deepmd/nvnmd/fit/ener.py,sha256=7Jtas6J6Y58TXBYNlbZqF8YEcjETJJk_5K0pijw07Z4,350
deepmd/nvnmd/utils/__init__.py,sha256=I4U9L03QZz3bE-umJfjCX7xyxvgikkKsuO21BpaYw1o,592
deepmd/nvnmd/utils/argcheck.py,sha256=Kl-SHs5hJMcoFcaWzje66XVCTC_Nm6Wkp6ebVab_MHM,2490
deepmd/nvnmd/utils/config.py,sha256=C0yDURKPeEbbcNYfCJZtcLu8kde2VzGsOMf1YYn3UE0,14369
deepmd/nvnmd/utils/encode.py,sha256=FJVPMq4RsZt6nIkXhH5BlaJzA4jWbfs6pG1kwiQd9JY,8012
deepmd/nvnmd/utils/fio.py,sha256=q-ZrZbVU03SYEHNDfx3y0qOJTWkAs2bbzhjcQE7JDB8,6342
deepmd/nvnmd/utils/network.py,sha256=y5BstuaA3L7VNrzz7y1IXOTvvct0lp2xKYKnqhpUgYM,8859
deepmd/nvnmd/utils/op.py,sha256=gV7x6bukhVN18s1llfPlael1kEnUN2GsEYBLewAWzLM,541
deepmd/nvnmd/utils/weight.py,sha256=wEAQZF6ifvC-iscuvRzVTP4TpwV4Joj14iIIRl_8XZg,5127
deepmd/op/__init__.py,sha256=GlH2T5Xkyhc2fY6PJzoeWuzCJBIhqSDHrJ1K6uZicfs,830
deepmd/op/_add_flt_nvnmd_grad.py,sha256=ZfCvFgXxAiNDDvi1ObOwNWKPiK9pPQn41tsPfta5zG8,320
deepmd/op/_copy_flt_nvnmd_grad.py,sha256=Cg8OW0EXAdwN5dbV_sLtzCVB8XOhY5HBKqSCM_aQLbI,325
deepmd/op/_dotmul_flt_nvnmd_grad.py,sha256=HlwVxE6GJB1y3ou0jSrn8bSlScxz_zAZMcsYKIIyMqc,707
deepmd/op/_flt_nvnmd_grad.py,sha256=GXJ_3-LfLXTktGD_6QRc-jF9cfBZ2w6YwN1CRmftaa8,297
deepmd/op/_gelu.py,sha256=ef5278NuSVxV_kL8PRNk5P8nIFLnMsDDjSdzAjISEeU,1056
deepmd/op/_map_flt_nvnmd_grad.py,sha256=v2qS003uHeGvj2yVzx_Sg2YMGOp1DK6cy1TdVDdUOQ8,983
deepmd/op/_matmul_fitnet_nvnmd_grad.py,sha256=SZxY4hprfYrphbLH8yO-sjtNunIi7YAqLTQXt21_568,565
deepmd/op/_matmul_flt2fix_nvnmd.py,sha256=acDr14Rd_o9vT4GeoW3Shn3gH_supTiMPJiXHV-PbII,1051
deepmd/op/_matmul_flt_nvnmd_grad.py,sha256=cL07ys3wm3xK_2gX1XKO9g8GeHB1CPXr0H_ztRbD_c4,1299
deepmd/op/_mul_flt_nvnmd_grad.py,sha256=ceQ8DMFhEuOfiW6DBLpuPbpQ9SeIogjxVU_Lipwdb70,904
deepmd/op/_prod_force_grad.py,sha256=oK76GEm9rjWvTm7s25_fdY189bQg6OXu_FWn4AEEprY,605
deepmd/op/_prod_force_se_a_grad.py,sha256=Jeg-4fo9cAEZ5upqogrALQiZj5ZL5j9KUU3V2mwx2IM,589
deepmd/op/_prod_force_se_a_mask_grad.py,sha256=0s2rk-uBcvZJ8npseIofF5zxWC3d36zV2MRuogxG958,586
deepmd/op/_prod_force_se_r_grad.py,sha256=ImQAMs2THd7lHd_LpzKixKg103a29yXYiAYFbOv38-Y,470
deepmd/op/_prod_virial_grad.py,sha256=wFosn0JET70n8M4j-oQSFNijf53n__LkwtvFvllhCV4,649
deepmd/op/_prod_virial_se_a_grad.py,sha256=8_5UGHBGGRRkZjwDcdpLWoQCdfSbSy2g6Otlu2fkYj8,633
deepmd/op/_prod_virial_se_r_grad.py,sha256=5zsWitBBtS6NMSlR25NKz6N2Ir6YWNCQfwmhWjWUUIo,505
deepmd/op/_quantize_nvnmd_grad.py,sha256=4CG7WFJcraV2rQ5kBG_BoSRCLDM-4rv5Od9_09FhPeg,480
deepmd/op/_soft_min_force_grad.py,sha256=6FKGZqeDlusBsYMthRtvIDmEaiPpCjt6tDcH28x0y58,591
deepmd/op/_soft_min_virial_grad.py,sha256=aoqQDgVcjp8Yb9NAkW939nUDXaCchPDkDfk2oXarpt8,635
deepmd/op/_tabulate_grad.py,sha256=tjVBfqxvOzRObqy5WowL2VyYAu1q6fz0m39wruUOzTk,3018
deepmd/op/_tanh4_flt_nvnmd_grad.py,sha256=CsNyLg_eZwpJV19LOzz0dfUOPWFM4TffS8bzyqEK9yk,1109
deepmd/train/__init__.py,sha256=1gSDfOeNR4jEYvnaEl7TqZy0ITUB6-5Q9M-i9aZoGJ0,46
deepmd/train/run_options.py,sha256=2px0skeyNjg9f3AhIBTIEdgmNxlBzNtHTrPmj8RvGqc,9003
deepmd/train/trainer.py,sha256=HGdX3MErGEIho2G1QagKXXyuZrvECbj_by5wrTH_WA4,50744
deepmd/utils/__init__.py,sha256=1ehP_AfNzayut9yWIz2GBamsWln8D9JQRoHt3JN_IeA,439
deepmd/utils/argcheck.py,sha256=wydj6Ey2UzlrOs5jjKSuIvJJ5fQneWT6KHuFT1Kbvfw,92714
deepmd/utils/batch_size.py,sha256=q5Em_a0aBDq1zWANf0w1oisg6vBdOAICxeQ4IUxPBWk,7316
deepmd/utils/compat.py,sha256=45tJfBVA9vVNPMLEd16tR3yD5tNA4-cYO1GAOHfKbLI,11295
deepmd/utils/convert.py,sha256=GJZ2FpOJ-iRPUG-hVAAEyogBrkTA35YfsGfpiMd3eTc,12829
deepmd/utils/data.py,sha256=EDPToyQIeB02WfE-ExDJgaXzE3qLIOM_fMi1NIcGRiU,22392
deepmd/utils/data_system.py,sha256=VngZomMkJF6VA49xyA4wkk9bAZZC3kmCEHV5hC3RrOg,25637
deepmd/utils/errors.py,sha256=OmuOYQGPmrmRcynQi0x15_zZPEew1xBDDtpiADNB6B8,312
deepmd/utils/finetune.py,sha256=W3s9eBc629io5hYSqyfHEVNITXdrBh-xAsaIcq0OTbc,4268
deepmd/utils/graph.py,sha256=i0WyDQad4z9hwoKcvmgF8hQFf5jufuWVs_MoSbGzVUE,15257
deepmd/utils/learning_rate.py,sha256=ENLQETq3K90Uh6L2VHddLnmbRLrKcIO1W74bt6ciMAQ,3332
deepmd/utils/multi_init.py,sha256=VZQMIyqS2CrYLJkhm0romWq_iOG89VW5kzSwoQZpiio,7224
deepmd/utils/neighbor_stat.py,sha256=BrJz1jZSRNPyDW_IgTWjYgl_Ko3_y3DU-Kl9WZiX8fU,5685
deepmd/utils/network.py,sha256=Sy3YdZKNUAWOL3pg1lAUkWMOMlWRu3eBxA82ftSHrSA,11098
deepmd/utils/pair_tab.py,sha256=MEX8yf5VjLeu1w8RsJggqrs1D-AyCJGAq3MPiqNRCvI,3458
deepmd/utils/parallel_op.py,sha256=XQMR-ThrONk1jsFDwsEV02zYC1RVgRE6i4cnzANUFfk,2917
deepmd/utils/path.py,sha256=fjC-nQsLHi_3AJ2bs7joNRD6hgFodAHXwXvRAwHRnxs,9246
deepmd/utils/plugin.py,sha256=AXjllBQuGe5ndv0dOpcumW7BjHpbWyHCOxVLVUzf-kU,2128
deepmd/utils/random.py,sha256=Daz21mNuTX72UGR_nHLhQQoky1vbvjZolzo-mamYGc8,1390
deepmd/utils/sess.py,sha256=QjoVTijzI3EIrfQIkqibb8shKH4jIhj8LsQk52pUkao,1661
deepmd/utils/spin.py,sha256=bJvDwcEv5_a6HFz6U7KUuQAPLvlKTnNhIySODgqRU44,2640
deepmd/utils/tabulate.py,sha256=xn1nsziQ2neTwK3T3x8xieGAhLQxt6_XykY4Kde8DR8,33377
deepmd/utils/type_embed.py,sha256=mCXVjEwwsNjIgoo1lakuzTPcVKBYkuwtUS3IT0ZWHys,6674
deepmd/utils/weight_avg.py,sha256=78U_bxPYY1H_sl7PrNa25nCbOtvELJjH6OcF0LRmH0o,1406
deepmd_cli/__init__.py,sha256=KnGnaRKysIUy0wI9RnKYK3Lsi15pvbsCroKynIwB1CA,241
deepmd_cli/_version.py,sha256=093n4FxdYmSij7yWBGgkPAvsgW9MYCgE-s-WeFxw3BY,19
deepmd_cli/main.py,sha256=YQ2_842hNYQBpQzorhXDyKYBA_5KpiWhqbZ_xT7_JzM,19812
deepmd_kit-2.2.5.dist-info/METADATA,sha256=YKLrVzrGNIhDdc_Q2XzRYH6Ms0cBg84VZiNm64RTQSo,26923
deepmd_kit-2.2.5.dist-info/WHEEL,sha256=Juj7L7xAk-hwzNaZogc9lVFvMwku_150Z5zo6s7Ynig,103
deepmd_kit-2.2.5.dist-info/entry_points.txt,sha256=CsfCR_R_9hYFKt5fhbuSVzL3E-LLxGXwyMts4jxyJHE,94
deepmd_kit-2.2.5.dist-info/licenses/LICENSE,sha256=fTqV5eBpeAZO0_jit8j4Ref9ikBSlHJ8xwj5TLg7gFk,7817
deepmd_kit-2.2.5.dist-info/RECORD,,
