nequip/__init__.py,sha256=SPlj6RIB7iYlcOwNsaq0sjgY5nTVid8tspf8vnBzNFU,1358
nequip/_version.py,sha256=AV-tpZmDDt_FiXtlgzZDXIayIuEOdkbUkLpvZRHG5mk,154
nequip/ase/__init__.py,sha256=1vMp4TfX4weLx78oFZFmLU09wT8NUFeCWDO-eVf2gCo,243
nequip/ase/nequip_calculator.py,sha256=Nq5ScrXgkqAwckITZOz4cfv982t0GHsWC_4EXk74wZo,11453
nequip/ase/nosehoover.py,sha256=YIFPkBSkzdxNX-FWwK6hDMrqRHXFmnP3WhTVaetqp2U,3129
nequip/data/AtomicDataDict.py,sha256=icni3PE9RxxsYge16JFvs3U0JsxTIv2azqYEQOW6cW4,11130
nequip/data/__init__.py,sha256=4kW9abW4uSPmazbZpDqGh7U0kH28dY3_mE3U03Ui0oY,1464
nequip/data/_key_registry.py,sha256=crsmmBcHa5Gg2OxiAbL8E4Mn_AoHj5wWUePn56fbyDI,9666
nequip/data/_keys.py,sha256=yKl8iYl6sqllz-_J5ADZoFGunSJD_pc2-0dJIoieoAw,3792
nequip/data/_nl.py,sha256=lK7bzeFI1jeiB_YqogVel42pn7ALpaNVQDtmdWuZVd8,6656
nequip/data/_sampler.py,sha256=dlXf0ej2olgRHSFIKr_CzdlDORNYHEpi4gQc3Z5O09g,4460
nequip/data/ase.py,sha256=-tIStPWeJYaUpL3XIFckO4gh-HSw5tWwLMA6SXHbAQs,12473
nequip/data/dict.py,sha256=lEqiat-k2u5_5L0t0ZhE2G3PCe-z_YpVOuJKimp2g18,6774
nequip/data/misc.py,sha256=nn75rWMSUUOJf4643CYgewXV9AB4ZjJaSM1VfxJl1L8,1555
nequip/data/modifier.py,sha256=TTuKf42mRSVHQitumrLZlJcLtvkXdYi3zvoF4Lai90Q,3883
nequip/data/stats.py,sha256=--8Tt8qA2gf5ggnAQ8s2HYQGK6QOLcMOaHKchRuFmrQ,6529
nequip/data/stats_manager.py,sha256=x9drNivNQKZZoh9vQNGtSD4_lqVSHuE5R0jv0SfNdz8,14624
nequip/data/datamodule/_3bpa_datamodule.py,sha256=VbfMuW2mrmyRDBJ7aRByxMW6-N_CNSk2dmMj-W2Vn7Q,4915
nequip/data/datamodule/__init__.py,sha256=iTo92quptiksk2GVLb8MSeShe6mZvcWofvUL576HYH0,685
nequip/data/datamodule/_ase_datamodule.py,sha256=Z1UT0iuWCCvYKehAkqCR-v82Fx2tnWWkUAOj-OzgvmM,5399
nequip/data/datamodule/_base_datamodule.py,sha256=SfgchjUoxaN2dQPrHfTG-jU7tUSBpryz8QS3qO4y_P4,15400
nequip/data/datamodule/md22_datamodule.py,sha256=mxYlBRuer8kYwRxmLvLNzs2mVLFpDmwHQq75IAfpSgw,5842
nequip/data/datamodule/rmd17_datamodule.py,sha256=MWqyZQ2QFSfKUG7mbHrIxMStU8rz_St4WpFfAwA30wY,5904
nequip/data/datamodule/samd23_datamodule.py,sha256=ACFg5sRe-XDnEgmYr90P8Iqj3JgfjfWvIE_5E6US22w,4975
nequip/data/datamodule/sgdml_datamodule.py,sha256=JpXmXn7qNEJC3VTmWbp7lDyJVBP7IqqC5LI72nRADBY,4765
nequip/data/datamodule/tm23_datamodule.py,sha256=6omy3HprfCtXrBtyZipR9n7PkjEhVfZrnAOAEGwrKYE,4002
nequip/data/dataset/__init__.py,sha256=uhT6ya2aHdlC6WIeEGXyNO-qT7S0XzyAnpRTdRFTObg,618
nequip/data/dataset/ase_dataset.py,sha256=Dqe0dpI4e4AXSLup78cfMEWpL8LC8tMTMsoAhnuX5jg,2647
nequip/data/dataset/base_datasets.py,sha256=9pONGg2IEE8BCIK1b1CgpQIR995cmPAQ2MLVEevEoug,2601
nequip/data/dataset/hdf5_dataset.py,sha256=FwEfXaJ5fzu6pAPMZCprxFTyqNxR3SNkPK1nEgwYDZ0,3681
nequip/data/dataset/lmdb_dataset.py,sha256=dakROB3oewS8vfhmqrQWGvDs1nFui1j6eKLN7vypcxU,7971
nequip/data/dataset/npz_dataset.py,sha256=aVdbNnF7N1dzBIIdMFsUUwlHVzGws3GyXkD4f-Bl9Fw,2855
nequip/data/dataset/test_data.py,sha256=lg8C_wVegnUiKuIRwsqDnq2PenaUXEIkfMzIjEBLLLE,3373
nequip/data/dataset/utils.py,sha256=dbPLOqtgSFOPjku0b9uAI87POGO9I6dTblTYeUKayc8,2564
nequip/data/transforms/__init__.py,sha256=XUaq-Z6ojmmVedSIFln9F9S6BJ_-OAhmxJ2EWTBo4XM,507
nequip/data/transforms/neighborlist.py,sha256=WL5JlC3KmAEt5GF-KrXpyTQEyPRJV3itZO5UdSoEUHE,4832
nequip/data/transforms/stress_utils.py,sha256=E7OLx2qaXXJ1HrE71S-miy2_CF9ErUqJrejFhfBe77o,2144
nequip/data/transforms/type_mapper.py,sha256=9r-fckPc9uQFYFtJ8G_6Y_NzA8OxuOQNLFkRJUtI3oA,1926
nequip/integrations/lammps_mliap/create_lmp_mliap_file.py,sha256=9ZklNdKez9qmea3hv7GG_sHxK1Q4G2ePzg7XbmN0AXs,2906
nequip/integrations/lammps_mliap/lmp_mliap_wrapper.py,sha256=-ROrFNv8EWTEs6H4PJuQ8pgm8SS1Jl9s2MzZQDsUuGA,7304
nequip/model/__init__.py,sha256=2PGqU2UWxP5caD4vQwFeJV6X4pWX8wB4cYVybHM8Cew,642
nequip/model/modify_utils.py,sha256=AnsV4VF-kv8tbtrACzgSPfcxuutLXHI3WwirdZPkgLM,5911
nequip/model/nequip_models.py,sha256=mMkY6QtX_egyTZyYHaj1UjB2IsMujKRz8SYJ51d4iHk,12541
nequip/model/pair_potential.py,sha256=9ApgPhsgcDpHIgRljKsqhjhjx3fvzHi9Sl5nwcu8yFw,1805
nequip/model/utils.py,sha256=I9Cd6Nlr0K0MTbxOeeJtFmMh5cqjgVA4_F7ZeH3Sdkw,6440
nequip/model/inference_models/__init__.py,sha256=kzy2fAUYCL7fyy_MIX_EeOTt4XorOfaFlDJi-_aLus4,344
nequip/model/inference_models/aotinductor.py,sha256=tEtuJAm1ryQsI2cSiRqND63DafyX5WoUc6IRdm5_QfI,2341
nequip/model/inference_models/compiled.py,sha256=KmRzWAtMBhTpWjZ4dLvXTUArh6qudbcXqVBMf_Z6dKs,2038
nequip/model/inference_models/torchscript.py,sha256=8-S2dOp6P262XI-TQ2dGBdiBFWBioYMlzRDGfwoRQp0,2500
nequip/model/saved_models/__init__.py,sha256=htc3Uc_Zgr8hlclj-pBhSEwcpdPFZ9EIvkvbnFbX5aw,276
nequip/model/saved_models/_utils.py,sha256=gVzpu6cmgnMODx8Hv9Knyz5C3gFsbV4f5rKni1j6jeU,1491
nequip/model/saved_models/checkpoint.py,sha256=Le0Etw5GvfEksdzWaybKx-Bz6BunxC4aHVH0OhQ5iLY,5058
nequip/model/saved_models/load_utils.py,sha256=0bO6f0VBhjKo264x7nwV8b_SN3qukmvYd-9mzFbiLCg,1631
nequip/model/saved_models/package.py,sha256=oV-ovtN15h3kAs0in9p8ZSYVPwT10wo0c9Pf0mOL6EM,6403
nequip/nn/__init__.py,sha256=tdhmNqT4N8HR6zvlaX4NgYo8K1gSYCNYkoOEsn_mqcA,1264
nequip/nn/_ghost_exchange_base.py,sha256=Uh4_w8OAfJ-2jHu9y2musBTatB61bm60AXUj0DuRNSQ,1606
nequip/nn/_ghost_exchange_lmp_mliap.py,sha256=uVunQTafchFNnbXRudUS9AarV5KjptoIbkR3PlwhCPk,2385
nequip/nn/_graph_mixin.py,sha256=iMFgK0SmT_xv2cu291_WUvPVzrBOlWQ-ZRqaf9XALt4,9630
nequip/nn/_tp_scatter_base.py,sha256=mHCsNp4uIe3eeznli0EWPBGdNzNVfLCUv-qHVLwkspA,2329
nequip/nn/_tp_scatter_oeq.py,sha256=hDTksC9VvCFyc-DUmMvnNvt3URmOBHEwvW4caS8BpX0,1923
nequip/nn/atomwise.py,sha256=f7KtRVN2PzDujBRbo7EY3k-YaZ7LIsw4th4jRUFcOyM,15203
nequip/nn/compile.py,sha256=RkgIdgvTIxCXIJjlcXDcvaZXyjVQBLPxzryZioE_jWI,9609
nequip/nn/convnetlayer.py,sha256=LtzWoIxH0hIXxBegksvff8S-c8wKpivzTJT6y4u8dx0,5444
nequip/nn/grad_output.py,sha256=GypCpCtrgd8udit0dyzmqq8srCfu0E4C4wweZ4emFN0,12254
nequip/nn/graph_model.py,sha256=Y2Yf2Fp9s2cwx_D_l92Hj9p1a4sMvMMG-09YQnN3GUo,4921
nequip/nn/interaction_block.py,sha256=bFL5yez73Maz7hhuv6QehFiMec3y0rre_YZP9KqGQ80,6537
nequip/nn/misc.py,sha256=v58_qlHMiIs-gBXf2cIwvn07oHB0RNop-SZeAerB1iY,2442
nequip/nn/mlp.py,sha256=N9C_f481HzRBIuuG_kv71PUzFS0AWDD_GkLz8z8eMsU,10420
nequip/nn/model_modifier_utils.py,sha256=redhtOzYu4lHVjrl0xjee6TZHyB4ScM0E3KEo0Ab8bo,1890
nequip/nn/nonlinearities.py,sha256=7sMDRpp_0mavwoZgFM8R9npd8yZzkhlQIoPKF-y6XBc,657
nequip/nn/pair_potential.py,sha256=H8VZK3AVHrTvDIqX9orzOCCN4AcuLHOGgC3wf1S5jAI,12915
nequip/nn/utils.py,sha256=6H0CDTNAV2dfo_yHn0AABGPcZTqxYRt83FANiQMzEBs,4359
nequip/nn/embedding/__init__.py,sha256=cD9W7PtNdD7vX5qaDbl_9NIqcpD2zPwvRLoyXWsdn4g,497
nequip/nn/embedding/_edge.py,sha256=cmVKTNW_bTcT9ijKSNkYpZbNVqfWLhUcWqw1pOkCTpk,9802
nequip/nn/embedding/cutoffs.py,sha256=4SCkoyXAduvlfOUxJqlDe6vBMnjJhJ_ed4KF2zd5uDc,960
nequip/nn/embedding/node.py,sha256=QhP-TrbNpUZcr2PGXwHLWKhByK6Wfmg6jNIIb39EbM4,2059
nequip/nn/embedding/utils.py,sha256=4Pw4Iflz4uU3KMBdhna-ilqVvDKjnjTRDlw3jK1-9PA,1938
nequip/scripts/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
nequip/scripts/_compile_utils.py,sha256=su1jHM4nm_TyElhjBROSLzq7SKMtJ-u1RcA9Uyq2xZc,2499
nequip/scripts/_package_utils.py,sha256=U4gwnO4U_bjXQTr1G4TeskHFL90d_8PE1kT6Fg4IhSg,3671
nequip/scripts/_workflow_utils.py,sha256=aivKP-MnubrY_ZybbNrwWHeh_A4mXe3-4GDMUTDJTKA,450
nequip/scripts/compile.py,sha256=cIwV4ePKgZMsXVh7P7-YpEWEPtahnr9Y8DMY30PTxgo,11199
nequip/scripts/package.py,sha256=-D9OmZS_6H-l6at6HHn3A-EjgdeQ-5k34Zh099XlQUg,13049
nequip/scripts/train.py,sha256=DkKbpVwePXW981jiR83x7WKmfPFrtygVjYoKbNyutsg,11444
nequip/train/__init__.py,sha256=L5SGKawuclX2tWQQM3TBd0_ieq_TSm02q_iGIAawhWA,1163
nequip/train/config.py,sha256=LJBYBwuKHpCP0bTbp96nZmr2ZdXWImwarhyoEuGfLa4,14397
nequip/train/ema.py,sha256=Qtct9xDq1scY9gNvWTcG8TC8bqAiMBw1JhFnxVfBHtQ,11782
nequip/train/lightning.py,sha256=KdW6_fnb9k3OCMrlLfxHMkQY4NXQhfL_aEPStfNB9Xo,14614
nequip/train/metrics.py,sha256=iLsMBsMLXF3MyouRrQWmbQEuFmuQyB1kvPeWgvX-9dM,5727
nequip/train/metrics_manager.py,sha256=ESQaYprU0umETz1j_C0mzZ-zqt5xhZFIFbKRLnzNjsM,31519
nequip/train/simple_ddp.py,sha256=Kq-swvZfrvEHgvCy2eE4rXW-qz8NQl0bQHtG9AcSPhc,2487
nequip/train/callbacks/__init__.py,sha256=Te3aHytkGlsEqasC2ZdnZhX3b41Tn9zLoP5xYzADCF8,619
nequip/train/callbacks/loss_coeff_monitor.py,sha256=NPo_32sOf2i-hYpEI0IjB4rIsAED17fNiar8FVzyKJg,1943
nequip/train/callbacks/loss_coeff_scheduler.py,sha256=kPPWmu7nO4VyeAMrvjFIaMNUZuY4DWckDrq08OVAtL4,7759
nequip/train/callbacks/softadapt.py,sha256=Kw1jpsQs-Ae1lscKwFXdynnuz1qv9HlDM58NgASOSSg,6628
nequip/train/callbacks/tf32_scheduler.py,sha256=ReUBctPENGr11_O5nGF3wHGNjRZTPNQPJcCOcfnxv9k,3292
nequip/train/callbacks/wandb_watch.py,sha256=YxYUj54srbX2Jg0TEtNt3L8d0biolN8iXaTnIng0-Ic,2262
nequip/train/callbacks/write_xyz.py,sha256=VnrrGTwvRFI8dVgI-CLnnc7UhpZvx5CAhcRJYpyB0Ck,4920
nequip/utils/__init__.py,sha256=fETkw1cW-m0KEcPQpN4WMkcWjPf6JxFbihd5YfegOvk,825
nequip/utils/aot.py,sha256=kiBZiCtMXU4JPA58LiDe-Y5WXZ6V189kR4uC8fE8veE,3119
nequip/utils/compile.py,sha256=Ybj_KjiAO3GtrFZOxdewOzT53sFHXb7eXu7gqBSvVto,1475
nequip/utils/dtype.py,sha256=Hej6xcZ3Um3OS2fN8ILedTtaS2L7Lkvfy7hp9Gbf_SQ,5291
nequip/utils/file_utils.py,sha256=VTUgCAgy-SMeJ5MGrsAo8fJdBN1qfS6jvrNErW8NU5g,1735
nequip/utils/fx.py,sha256=C1JKkXExxFxxrjkOb50k9LHeI3uc6ULDz--wuC9h6d4,5368
nequip/utils/global_dtype.py,sha256=yNAS9TTJu7IoOKi86vmxrYfh9ikwCvUkxvtGAqSHkXs,257
nequip/utils/global_state.py,sha256=9rdxWRl-rBDKHCo-0t1sRLycOYZ88quun4hCtTRpkjU,6629
nequip/utils/logger.py,sha256=PHKUeA2kIBbZV267WT1-Gp_BSniNaHNU_sVKQzy-caA,2785
nequip/utils/modules.py,sha256=eRTcNSHISChdIB4fhc40mfB5HBvBNB8cs9UbU5ce6Kc,519
nequip/utils/resolvers.py,sha256=c7DWXD72Zof20QoeIY0wT1ktEL4hRFsH5-gQ0gzSRls,2261
nequip/utils/test.py,sha256=KBkQG-Gw78mGCoA_hEUFfTiGKuM3BcXMue74eKv-JZs,18537
nequip/utils/unittests/__init__.py,sha256=tjYx6xKf2P0jd8uQ_kPvet27kAQby8t9bv23HZhNAyc,196
nequip/utils/unittests/conftest.py,sha256=spHmtTq_sHFNp6nSW_HqPirMEkk6Cc01e3EoVw8StZQ,6195
nequip/utils/unittests/minimal_aspirin.yaml,sha256=pbrxQJThePUGr3IMEgkM89x33Ww93nhKb4IcVAKHtWA,2783
nequip/utils/unittests/minimal_toy_emt.yaml,sha256=I8n3ur96itkZLXXQMnZo0rySqjolFcwcce87JYhoS4w,3186
nequip/utils/unittests/model_tests.py,sha256=lkuASHRZ43WZamLVV1KQ0CyczAUa22Np4SpVhZ1k5vQ,54932
nequip/utils/unittests/utils.py,sha256=H_tIqra1-qpr0uTNhwxRI_1sOM49ovnt8NqqOAclYzU,6322
nequip/utils/versions/__init__.py,sha256=aK6jNqE93jjG7bS0YgbUX52QOsdXIgtGM0ZUh9QP_gU,452
nequip/utils/versions/package_versions.py,sha256=eDJ4QAD5QXTU3s2IYBVAiQ2tpmsqJ3mGkGyjhTa5OGs,1208
nequip/utils/versions/torch_versions.py,sha256=xYgp9hOSOp-tfEd6SvUAqnYq3V7OD5m1dMlkqI785jw,828
nequip/utils/versions/version_utils.py,sha256=vfrP_5xNAdQgy2nedOkrF3WVqPt_lNfdqLHicndzspY,839
nequip-0.13.0.dist-info/licenses/AUTHORS.md,sha256=Q_SO81naB4GayCLgFHRnhXyAGlTtesoJnzgRV75pKUA,840
nequip-0.13.0.dist-info/licenses/LICENSE,sha256=3RLHhFz3bGIuSn0nRf9lqJUQ1oHKB5OFt7OV5J9sTzc,1142
nequip-0.13.0.dist-info/METADATA,sha256=eucmi4rI_DcnAs1u76ZLuUMtdOpZFsi2F6GJ6mPf4Zc,6627
nequip-0.13.0.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
nequip-0.13.0.dist-info/entry_points.txt,sha256=t8Jn6E4Ze1hXzXek-qtbpqsBS8QxwAwJcWcj-zmTcWQ,236
nequip-0.13.0.dist-info/top_level.txt,sha256=nbJ4kwSLiqvvSfqED_usJLgLEVpBWLUc1oOWaHR3hMc,7
nequip-0.13.0.dist-info/RECORD,,
