macer/__init__.py,sha256=EiOEXvAgK0AkQEtDfeWYkIwqI72m7XkMumh2MtK_Ci8,610
macer/default.yaml,sha256=_4D8KnMTefRegrgcqmUReNlSv3ODMSgycggMnachsgk,895
macer/defaults.py,sha256=WZES8fWPbsiC4CuNjwmcYPsWEDVgFiD0GXMciZjUnZE,7412
macer/active_learning/query.py,sha256=es-hTrlPEc_agbU610rb1Qgqzt3gijAFB6YmusenbzU,6731
macer/calculator/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/calculator/additive.py,sha256=AbCLT4pmNT2QaPl0a9DJBy26XiDGgWZtz90S49Osols,2725
macer/calculator/allegro.py,sha256=Q0rJQFfeHUEUG9d5VhDC_aKmN6Mluabz_3JzXZIHKHQ,5288
macer/calculator/chgnet.py,sha256=d4XrrU9rqhbgH8DdMa-BxL-ZvZfi_eT8KyKUY8Qd5T8,2105
macer/calculator/emt.py,sha256=l8cFjSy2S5XBPZs0scu6rtwVZllV3wI7dJwtwcW7HNo,1293
macer/calculator/factory.py,sha256=QVZyHQATOgRwGFPWRMqRXo_qgu__IPHhhXg1oEqMaqk,11775
macer/calculator/fairchem.py,sha256=EFSUq1oZin-B6dzocBwJioqcjhCjt_e0iYGHWkrzrTI,8647
macer/calculator/lj.py,sha256=AVuCYzHKhR5yz7xMqgcvcl3VyM-Thc_3dKSdQaKT46M,717
macer/calculator/m3gnet.py,sha256=yeHlhCT439zHAmKff2mDqu4m6UaXftd0X8ImTQvG24k,8396
macer/calculator/mace.py,sha256=Pl5E1JCX3Zh954mT9zUQzxul4AkkJeX_6_yGSj0fRGs,8799
macer/calculator/mattersim.py,sha256=QYXcpDwucr0xO3Ryo2HI8Oeq6c3Nx53zSPg3HK8whmw,5225
macer/calculator/orb.py,sha256=ZG5ZTsBWLTpnOhMjWznI_ksXdXaG3KXf8rPsfbDB8P4,6118
macer/calculator/sevennet.py,sha256=z168y0pjKBZt7OfhOQ5if37AA4OikO83WlXR83TUr5Q,6992
macer/cli/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/cli/argparse_common.py,sha256=iVRvlCdsX19aLJ9Vx4c56e94wyCxmEqWqxaTYSHjUoY,532
macer/cli/interactive.py,sha256=bIE_-cOvB1JN2EnBTiOXnjXhU5lNiN7WvJpPxNsomoU,101021
macer/cli/main.py,sha256=7K3VQ6hGIwGXLnhi7iz3TR9vGaryVVr3ClnM9X4hJh0,42762
macer/cli/phonopy_main.py,sha256=lOqoHigYO0zFOWsGIFJSXVJjSbyTVZ8QOnv3PWSkWSU,45994
macer/cli/pimd_interface.py,sha256=33UlbgzSsGNVbshEkAQA9Yev7ULJNXC_3o-CcpfoNDQ,20181
macer/cli/pydefect_main.py,sha256=JSVfEgFyDG18UP1fnf98_b-k3SlD5QcvKJIAlXeJ7MQ,17895
macer/cli/run_summary.py,sha256=EBh9S3BJRNYRPaEEzecIbZKMmjOdszTK1RNPV5WXIqc,976
macer/cli/util.py,sha256=2_7u6Qqdw0lnzpwNSFPheca_Kwu8ivTIMy2aCQo5E14,25180
macer/cli/util_main.py,sha256=y0fYMCh64790n6wpn4DS0ZLCqolqxzFPgZwk1hG11ck,158830
macer/externals/__init__.py,sha256=pIwKrs2w58G3fjn9TbP1ghJZBS7twn4BBEiRizeUXOM,241
macer/externals/PIMD_python-main/calc_constant.py,sha256=vDTDBYyYAV0AkeBOteX3nzfxHgyIVW2XPVXYhg-vYm4,1196
macer/externals/PIMD_python-main/calc_energy.py,sha256=UzJxTI0zu9gaGSSh8hhhOgvX-v9zVxtJxmYGxZQwsv8,2741
macer/externals/PIMD_python-main/main_PIMD.py,sha256=oFGqI69fYAD0dslTl7c9z6L5AK0-QSE7vo8BrbvcXs8,871
macer/externals/PIMD_python-main/mod_md_subroutine.py,sha256=UMY4QNd__LaQtbfXw4rjtKC8oHeM9eLfX5wRvTrHz90,4141
macer/externals/PIMD_python-main/neural_network.py,sha256=hF9J9rmSap1if8SEGD89lUwK4TuLkkvGrtalkL8C6Mo,1044
macer/externals/PIMD_python-main/nhc_integrate.py,sha256=sKkjSmgGiwzzj-laK4ZJzRVFZCvSr2SB_hHh4Jol8-k,5237
macer/externals/PIMD_python-main/parameters.py,sha256=HZPn_ts4QEgmifSEHnS0OsxomKNOIXAWukFgteOgLPc,6975
macer/externals/PIMD_python-main/print_start_end.py,sha256=j3FEKjr_f_eWWFPZWnKVCn9ba9oSHaGTPnpt-jxCYkc,5254
macer/externals/PIMD_python-main/read_parameter.py,sha256=XG1BNno_tYvPG-fh6uauPa6e4rQ-PpF7LgfStP7LGTQ,5874
macer/externals/PIMD_python-main/read_structure.py,sha256=cn56fsY_yBTl4a-M9ZVH9ySkpF7E2d_kJ6XYCCZaOfI,1307
macer/externals/PIMD_python-main/restart.py,sha256=9VjZ9vuCR9mVhDY32R-lq2YAeZ-Gq2_8x68gBq-zfww,6249
macer/externals/PIMD_python-main/set_allocate.py,sha256=lIqm1DpI3cL1daoR6nWRYA3z9At6HNGNAyN1O7eOF2k,3447
macer/externals/PIMD_python-main/set_ini_md.py,sha256=DRgi1qferyGXFx1JaAGzzTc1WUwz0aQMkeNekckZFq8,9186
macer/externals/PIMD_python-main/simulation.py,sha256=YhDfsMltSbl1f3La3dLoMmRSA3TTZ0Eq3tYegItuQRI,3480
macer/externals/PIMD_python-main/utility.py,sha256=yb0tvAHvdg-YB6U5AaeqkotAg1re_zEG0aBkBJBsKjg,1939
macer/externals/dynaphopy_bundled/LICENSE,sha256=hIsoYzL7E4gYEpU1KmbqXstd2PvBXpjAKbevP_3UiJQ,1086
macer/externals/dynaphopy_bundled/__init__.py,sha256=qf5n6VAxaOodHvfQW_-1zz6DWX8Uc1Z6_9bbbAZj0Hw,73955
macer/externals/dynaphopy_bundled/atoms.py,sha256=seKjsQHn3uM9T6W6b_fmMsj3JZ_z4jaPs2zgr2foit0,21782
macer/externals/dynaphopy_bundled/dynamics.py,sha256=py3LZd-8xH3XT0GDuteALAPS9vxttdC3VPeHfD7qaX8,14043
macer/externals/dynaphopy_bundled/generate_cell.py,sha256=44XVvDVacZYriS86VG2RSTg3fhyvenUz3NAXOPQC-E8,5377
macer/externals/dynaphopy_bundled/parameters.py,sha256=m9l9zgQxnecDK86Ht0eTH3ELuwUSqfuAh6EA6ZxXVj0,9278
macer/externals/dynaphopy_bundled/projection.py,sha256=zpeODdD5IwicjPAU2jhpexP6bwlfoOA7dnPWjT4VtJI,2763
macer/externals/dynaphopy_bundled/analysis/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/dynaphopy_bundled/analysis/coordinates.py,sha256=-wntXjIPYVlNLtajoURrU1yyjDGhUrNOh3PET06N3jc,3551
macer/externals/dynaphopy_bundled/analysis/energy.py,sha256=J1iOCKnk4qr7QWZgP1QZ-2u77wyHHuMqcM3BLdpnROw,1589
macer/externals/dynaphopy_bundled/analysis/modes.py,sha256=m6LjOm4F6duNyRKSoGCxYraQzXG87EzV6DdiXQ70xuU,6065
macer/externals/dynaphopy_bundled/analysis/peaksearch.py,sha256=KS6h8-fa1RIcZZX52zn8e6kLXJr5Uwr6lEYExHuwxho,804
macer/externals/dynaphopy_bundled/analysis/thermal_properties.py,sha256=VQ7kF4JINzL95s2ytkLZBSCkW55diw_SDK2xT5rnMG0,7455
macer/externals/dynaphopy_bundled/analysis/fitting/__init__.py,sha256=JLX2kBqhX20rmL6vTqO-4Do6q--fzSt-MzgxsIMMLYM,7821
macer/externals/dynaphopy_bundled/analysis/fitting/fitting_functions.py,sha256=AuYPZ8jet54tIGlKC7Jb18GPLmjjVfoibPVDXVP0A9Y,13815
macer/externals/dynaphopy_bundled/c/__init__.py,sha256=4SYzOpBkyBn9n8SP07nVJgJ3AClO4DegRKoxIdy3ocA,28
macer/externals/dynaphopy_bundled/c/correlation.c,sha256=256aJ6ZiCuorOzBG6e9oDjhTru7iaUT-TpHcsWdwQVA,5108
macer/externals/dynaphopy_bundled/c/displacements.c,sha256=OomUK-cB1SflQk4QsQJQP9Ytuhffq2GFp96eudk0cBQ,10246
macer/externals/dynaphopy_bundled/c/mem.c,sha256=U8pHN9c5zhLY0bt_nLoXwITzJJJwMzGA3M8YSTmtAE8,7617
macer/externals/dynaphopy_bundled/interface/__init__.py,sha256=xCE3C5D6mk_HsW6wQdQkfLnuoYvcH0fNDIhwDjseJK0,21
macer/externals/dynaphopy_bundled/interface/interactive_ui.py,sha256=gl5Pc8t6W_YlRp_l6p71VoWax1tyfWNvAA2J109b-HU,16182
macer/externals/dynaphopy_bundled/interface/lammps_link.py,sha256=a5TigAVex_pQ_FJtiqZ_3ElypTNTYJgAJLq0rSOxY9k,6263
macer/externals/dynaphopy_bundled/interface/phonopy_link.py,sha256=m1Nv0KJChfZ0qsx7mRQJpdD4hPttDs2NvueY1zxNXVY,15542
macer/externals/dynaphopy_bundled/interface/iofile/__init__.py,sha256=ogTakez2cyaNXyDGYyq3RcAMLFvLwmDGZLcrnX4kINY,31946
macer/externals/dynaphopy_bundled/interface/iofile/trajectory_parsers.py,sha256=CRDhAOTFaNJ0mc2FvgEWOrndAEmzr-hcW91n4ipOTsk,17141
macer/externals/dynaphopy_bundled/power_spectrum/__init__.py,sha256=BPf5khdWXohU1A6a4vfem0G6KMZZE71WCoLS6ppLEFs,16065
macer/externals/e3nn_legacy/LICENSE,sha256=h60god_HMMAvzlGadpHUFTyzfUfovoscPymtCCHKsHM,1103
macer/externals/e3nn_legacy/__init__.py,sha256=Wx3YN3oReGHc3anqlSmyUpm5s_3aBLNGs9iL0Rn212o,728
macer/externals/e3nn_legacy/io/__init__.py,sha256=G8mbNwYzmIXS4wHuUmj_VbYbZJSCIq00XZNUmPeOyXc,164
macer/externals/e3nn_legacy/io/_cartesian_tensor.py,sha256=KYtTkbIIGqQWoRF4mjS6B5vACel7pPXwSpCeqUjTu2E,3651
macer/externals/e3nn_legacy/io/_spherical_tensor.py,sha256=npcN233o7ADe33sl9Qn2iAnBVobuAOOszf0fSp4bTc4,13131
macer/externals/e3nn_legacy/math/__init__.py,sha256=R_r-2jYeucKPubopfL5hIEJizEjXv7d5kO_5hbUQGDc,516
macer/externals/e3nn_legacy/math/_linalg.py,sha256=TM3mURKHBYEdKhcu9w3dV37oIqB1FIkzbaJf1fRJQpU,2624
macer/externals/e3nn_legacy/math/_normalize_activation.py,sha256=f7_Pi35ICbisicWuO-DQQdnWO8_CjibEA_ZZotaIqfA,1769
macer/externals/e3nn_legacy/math/_reduce.py,sha256=ND47AjAfiM-kAEiRJe41maQqj-8d8HCA5R4mJf1Ococ,4158
macer/externals/e3nn_legacy/math/_soft_one_hot_linspace.py,sha256=qZE6h6gkIiZwImG5RRiT3kn7tFxD6qI74Y1weoL09zg,4638
macer/externals/e3nn_legacy/math/_soft_unit_step.py,sha256=v7A6Wp-bAw0GgQ4_Pquwu-RZdNB-l9KonFPaNqTUBeY,1228
macer/externals/e3nn_legacy/math/perm.py,sha256=zKx6t3vPpMS1IOZoLmmnpUc8gE3_BcageUMjqvppihI,3413
macer/externals/e3nn_legacy/nn/__init__.py,sha256=mS8t2P0rLs9TfJdz0JAulKjWkJRs36-W4zVufTV6X64,576
macer/externals/e3nn_legacy/nn/_activation.py,sha256=rYXHB3GywSXjkfSKLEKwoXTDIsJmAGKxoU2XftbtTwc,3468
macer/externals/e3nn_legacy/nn/_batchnorm.py,sha256=AsSGJG5msuKHwEdwdFTQn5ExzvJDzX9eNM_vTPVrwas,6698
macer/externals/e3nn_legacy/nn/_dropout.py,sha256=alJebtLK5BgPxBIaei-PKzyeER9lnTTZK9JPOtA_pQw,2041
macer/externals/e3nn_legacy/nn/_extract.py,sha256=e2z9mO5g6diC4axI3JMUx4pmzxsCAAyKvNHcezT_TIU,3695
macer/externals/e3nn_legacy/nn/_fc.py,sha256=YJiofdVYCZMW6PHKiEbIM6OLo1QNkBWdmKJB0l-tSuw,2610
macer/externals/e3nn_legacy/nn/_gate.py,sha256=PwFEC-Y75CE0Iqnp7HvcY8xDWsLIfEhkIYLwfoigh5k,5634
macer/externals/e3nn_legacy/nn/_identity.py,sha256=Qw4OelJM-xU3oix-rqOcrIr1C4PjOlXWnmiFkOT4nEs,1037
macer/externals/e3nn_legacy/nn/_normact.py,sha256=Z2NBIA7TkOBmQAfFYZpJcK1J9pGHGadXbgJJFBLgHFA,3887
macer/externals/e3nn_legacy/nn/_s2act.py,sha256=BfgU6wdXnFeizsxE2kh1U3kgiQjrU9md2Nb_O1PWiTI,4171
macer/externals/e3nn_legacy/nn/_so3act.py,sha256=HYe6HPcxYkr3DMA4AkyKFBzeC0-VxtsHQ9dthqsGnDM,1670
macer/externals/e3nn_legacy/nn/models/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/e3nn_legacy/nn/models/gate_points_2101.py,sha256=B0Y9tpwRAtFzFj1lrw9RUwCKNB_j94eseOaoANeePJU,11573
macer/externals/e3nn_legacy/nn/models/gate_points_2102.py,sha256=YG_hROFg1-trJVymR819epsralLRsKSVTHe2TlYmXZU,11953
macer/externals/e3nn_legacy/nn/models/v2103/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/e3nn_legacy/nn/models/v2103/conv_points_in_out.py,sha256=6rP_5o2pxlkD0fF4f2Qp8qRBoWsMPm2PlpgWhntoJ4w,5213
macer/externals/e3nn_legacy/nn/models/v2103/gate_points_message_passing.py,sha256=Vl6Ihnw8zfaJ7L59uV_bN04SAHuCYtYwLqsPVxKVRSY,5664
macer/externals/e3nn_legacy/nn/models/v2103/gate_points_networks.py,sha256=eX6pSDH1A6naHCSJairXVcLRYclTHKGOLLclmsCXlTg,6996
macer/externals/e3nn_legacy/nn/models/v2103/points_convolution.py,sha256=f-Iml54mWPMBqvicVgL89iBiaFk0reUwjHVzpeTWyVM,4051
macer/externals/e3nn_legacy/nn/models/v2103/voxel_convolution.py,sha256=_9xGulLMy14egOfcKe3JmCMWVJtwPJJL1FYxLkflsxE,5029
macer/externals/e3nn_legacy/nn/models/v2104/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/e3nn_legacy/nn/models/v2104/voxel_convolution.py,sha256=k7WGg1kjsD7BpdyV1dXKH8mUlr0sDF6JLhsSezu3dD4,5642
macer/externals/e3nn_legacy/nn/models/v2106/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/e3nn_legacy/nn/models/v2106/gate_points_message_passing.py,sha256=WmJ8Vhnz5GEOE52uVf4ZELtQNaPmREhgI6WIbyMqwVo,6246
macer/externals/e3nn_legacy/nn/models/v2106/gate_points_networks.py,sha256=FaRtdvBZURs0ahGRB6bozrvejib-8nvluQo_sKs4yg8,7961
macer/externals/e3nn_legacy/nn/models/v2106/points_convolution.py,sha256=3xk_xfY23ichpxiE5VqMtDjX_sI-Mfd4d3Q6SdvkB6g,4744
macer/externals/e3nn_legacy/o3/__init__.py,sha256=gsKEok79wS723xbzuVleUn9fHrqeh13VQNY_rwy7fwg,2778
macer/externals/e3nn_legacy/o3/_angular_spherical_harmonics.py,sha256=O5JufB-X6CNqPH7hTx50IS6rF7jZ-uTwfw-UgLsXBUw,5927
macer/externals/e3nn_legacy/o3/_irreps.py,sha256=u5EKZh-LDz6LweVAp53Car9zoAmNP6hb4AgZzXIPgfQ,18657
macer/externals/e3nn_legacy/o3/_linear.py,sha256=rnox7MvnIKoFFdYTkVabV7NDZu3esgaflOxRjxJbyGk,18244
macer/externals/e3nn_legacy/o3/_norm.py,sha256=dG47s3ov1GgwLpJmsX1-BcAypbIHBxZ0N43a6mrN37M,2003
macer/externals/e3nn_legacy/o3/_reduce.py,sha256=t1wP9LE531ZVZl6aH7X665nYxngZE6IYMH-uOwTo2B4,11500
macer/externals/e3nn_legacy/o3/_rotation.py,sha256=YALVbhSVBHf54L3YItN0rKaKNWqMaRU6mPtODlwmMNY,17301
macer/externals/e3nn_legacy/o3/_s2grid.py,sha256=kTsd3vvM1xLsr3YOVfpCA6vFj4SyKsFEvGzgGiQEMow,16090
macer/externals/e3nn_legacy/o3/_so3grid.py,sha256=AIgsJnBNIQgltUSYo1c6tDoctambE77Q5XCddf2cpBE,2485
macer/externals/e3nn_legacy/o3/_spherical_harmonics.py,sha256=sNxkXxgAQBBsS2vLJHBlf0sB7oQdluOtSzaWsrojKSI,33408
macer/externals/e3nn_legacy/o3/_wigner.py,sha256=w9TmmuChfU2G5xgSnoNDgex0A0Yc7BrwJkvry5KGwQ8,7009
macer/externals/e3nn_legacy/o3/constants.pt,sha256=J5-x94RLK4XfCSVQv3hUpw_jtCezEmcvah4f7wp4aHY,4716580
macer/externals/e3nn_legacy/o3/_tensor_product/__init__.py,sha256=lFhbBber35qGHx1cJ7OrHBWhWshczodMOpRhwmiteLM,387
macer/externals/e3nn_legacy/o3/_tensor_product/_codegen.py,sha256=qE5su6FuerJ6OrLZ0U0TAH1PpHlIjpBL5WbQRLiiIpA,33712
macer/externals/e3nn_legacy/o3/_tensor_product/_instruction.py,sha256=DZMb-Cr4oSqNILXCHc8qlgjoGuBO7Io7a5DwOkEGXLA,210
macer/externals/e3nn_legacy/o3/_tensor_product/_sub.py,sha256=YtfwoziEVqTEgDqx0JgXTGqtTCGB2_y4vGCC2oHla8c,14781
macer/externals/e3nn_legacy/o3/_tensor_product/_tensor_product.py,sha256=hYZ6fy3Qfzx65u7r2ER_puLyaifhMnMZKfdcXHeGFt0,30397
macer/externals/e3nn_legacy/o3/irrep/__init__.py,sha256=0PRNjfmvSiDi1Y-HzOgMCu4hi_pkW9Ph8To3RNe-hPw,1065
macer/externals/e3nn_legacy/util/__init__.py,sha256=PAC59CMaNnXS73A-NhxCm-0TyC4pKEWYP_TybTVFjqY,391
macer/externals/e3nn_legacy/util/_argtools.py,sha256=J9odCIIeMzJkZBu4xI2vIUrz-qN7CaXr0DnovLz3mnk,6474
macer/externals/e3nn_legacy/util/_context.py,sha256=NFljCjglhWeJPrHiFmOm5XDQjXMIz3kwlV0__8ZGeac,721
macer/externals/e3nn_legacy/util/default_type.py,sha256=j-aW_lA-0ZDiaAzVb-UkGaStouL3DkbgCO89df8IoEc,3354
macer/externals/e3nn_legacy/util/jit.py,sha256=zSGhZ8RhF0gKPVMUHI6vZ6K61rqGnMayWFhZg8snCVQ,9622
macer/externals/e3nn_legacy/util/test.py,sha256=3bsjEkRa1vS-FnMYqGNWhZd-pASotvNUAPnDlekFiv8,19556
macer/externals/e3nn_legacy/util/codegen/__init__.py,sha256=A-zczESEGyueeYK6FqIc_50sqiayrDbI396wt1iYHjE,75
macer/externals/e3nn_legacy/util/codegen/_mixin.py,sha256=il-AnjOztXX28M9MtLWwE-6iowTlQePvFHcMQik2JOs,4719
macer/externals/mace_bundled/LICENSE,sha256=GMBddwPj5XicpH4Fxaz9T6VIxFWF6tZEoK4SGqAIeno,1122
macer/externals/mace_bundled/__init__.py,sha256=ERjl02rC_7swPeJPhnqgmpy_O7E9YPLljY-vxgE7myA,107
macer/externals/mace_bundled/__version__.py,sha256=pE0Uq0sYgKlqTqDJEpd_wZo2GocRGH-yg8PgIuyHYM4,53
macer/externals/mace_bundled/py.typed,sha256=frcCV1k9oG9oKj3dpUqdJg1PxRT2RSN_XKdLCPjaYaY,2
macer/externals/mace_bundled/calculators/__init__.py,sha256=qi7llRhjbo32gK6kY4YJ0uMPyEAPcqXTH1scvXl6yh4,259
macer/externals/mace_bundled/calculators/foundations_models.py,sha256=AKMyCwiB0h3fESvJO8EKdbtB_JaVGiwmX-xGvBymXYI,18270
macer/externals/mace_bundled/calculators/lammps_mace.py,sha256=KU66AwUg1W_NsQ_XVrOHXQH7Ro-Y_lpl0d1CIZwBvck,3827
macer/externals/mace_bundled/calculators/lammps_mliap_mace.py,sha256=1u8PzdDQNQc3cNcFZj-7ZRhopY8EAxsJRa2sZme2Z3o,7492
macer/externals/mace_bundled/calculators/mace.py,sha256=9y9RUo4uaTLXSmrVaf3jPt9HzE6aYAKWA-BYp8-56xY,31156
macer/externals/mace_bundled/cli/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/mace_bundled/cli/active_learning_md.py,sha256=W51MadEydZ8IDFvMtvHEvGK6I1wVsCtIOosiCWS3qyg,6216
macer/externals/mace_bundled/cli/convert_cueq_e3nn.py,sha256=FtSo72hdmdGgDAfBsnhBxWqMI5qCobLpXU0qqgPwMbg,8772
macer/externals/mace_bundled/cli/convert_device.py,sha256=D7fEVyRUp6zixoe0bQNX_wvwXXNZWPpTrkrCjXui1vc,805
macer/externals/mace_bundled/cli/convert_e3nn_cueq.py,sha256=uiYzvMLnBDZDTo96v2FH6dpEBkY_d0RSsfosJOTU9zw,8463
macer/externals/mace_bundled/cli/convert_e3nn_oeq.py,sha256=Tvn_Wv3AMHVildsaOVo-7Rl0g0VcnQHiTwlVTSPUs7g,2563
macer/externals/mace_bundled/cli/convert_oeq_e3nn.py,sha256=G4xBcBNo55pzrcIWC4hJmWNKA_ADNPoHxKYnCZ8AJQc,2292
macer/externals/mace_bundled/cli/create_lammps_model.py,sha256=Y-JYSoFH2Caqjw4rn1PAb7Nrg_XrWUOGeiqkLD4HVsA,3523
macer/externals/mace_bundled/cli/eval_configs.py,sha256=gs6Xh7EOtXgSvdohAKfzL0XXBqGuCx4gCJKkdpBoO48,11831
macer/externals/mace_bundled/cli/fine_tuning_select.py,sha256=Y8jxD5vkz1SkGAqqi2qXK8AB_ZfgYy3fNDZ3UVqc7do,18637
macer/externals/mace_bundled/cli/plot_train.py,sha256=LNj2hp9hF5XkxQ85oPTL3EL6B4riM2R4mpuJQv8h8ss,9925
macer/externals/mace_bundled/cli/preprocess_data.py,sha256=ihembuviVlaiHLnWPeJc3cS6EvEAL8X95FduCFsAHE0,10518
macer/externals/mace_bundled/cli/run_train.py,sha256=JhwVER3qWy3Z8e6EHQq3GQspFWFsS5BFB5VZ2kAJ7Bo,47342
macer/externals/mace_bundled/cli/select_head.py,sha256=b5DfukxUXWxIuloL1Ks7czwIc3f1Gug3td5j4-63ORM,1786
macer/externals/mace_bundled/cli/visualise_train.py,sha256=om4f8e9v0ORC5wKOClLwqFuVtcL-5bRmPRtA6AACoUo,29541
macer/externals/mace_bundled/data/__init__.py,sha256=fnJz5kuNEykEoqtyPPYXzE3S6sObV8QmbOaI-dBlphc,1057
macer/externals/mace_bundled/data/atomic_data.py,sha256=oP-9Ph4OXeTm4ojNDJxSqhIkN4BDCbvNaFRIxqJSKjc,14187
macer/externals/mace_bundled/data/hdf5_dataset.py,sha256=GZ_TquUpdO4LosRcYswIajHQxCXjVBqi7iqhjsX4QBA,3493
macer/externals/mace_bundled/data/lmdb_dataset.py,sha256=VDVDW-rRawQWumz1KGqEcocXgnhy2zBahTZsSb8S71Y,2677
macer/externals/mace_bundled/data/neighborhood.py,sha256=JpsNKKUvVLlzei7fb8AtoG02D0iHK-6rnnOTC5nvB3g,2436
macer/externals/mace_bundled/data/utils.py,sha256=4PY1z4F1gJ1pxH4RG6gcyIU5GVhNki4s23OTD6CDBUI,16374
macer/externals/mace_bundled/modules/__init__.py,sha256=VqsOHUBIRt9KsRW1D5G_ge1WVI4zqKm79nxUXvO-dpc,4134
macer/externals/mace_bundled/modules/blocks.py,sha256=1E1-7f75v5HgngxX2YaffXk7LOhsEep1HzSh1pjfeFs,48150
macer/externals/mace_bundled/modules/embeddings.py,sha256=syx5GlxG3r7zKxiHEM_T2SlQAaEN7L5TRM1QNU4VcU0,2538
macer/externals/mace_bundled/modules/extensions.py,sha256=G8XNbR68wuMX7uFuFiC6ODl_8eLm7mwddDpmXSzdXfI,10581
macer/externals/mace_bundled/modules/irreps_tools.py,sha256=JByW4jr6ZARJG7LSpGgJERiHMGo8IMKEK7YvvQrwrYk,4393
macer/externals/mace_bundled/modules/loss.py,sha256=E9I_Xn3KBUOW3C8B0cW_lTkJJmvzDZ8LBcxcoqLsMeY,23687
macer/externals/mace_bundled/modules/models.py,sha256=zkV3UDhFs_ZglAn1-FE0KdbhlAJAaKXjn4ZjI66IwRk,57154
macer/externals/mace_bundled/modules/radial.py,sha256=d76OJmsXj-_MzjGE8Map8T52dQy8ZdZCSAjo0eE-fbs,12990
macer/externals/mace_bundled/modules/symmetric_contraction.py,sha256=_BuNnXaFMhtcqM0Z-75FkvOyYc2Kbfd7IoHP2IJa_Oc,10634
macer/externals/mace_bundled/modules/utils.py,sha256=Ytx7wUgB-HqYkOcb30trsHNxPXTKNmYpu9Vo0Tz85S4,22060
macer/externals/mace_bundled/modules/wrapper_ops.py,sha256=t49lBNdWIXLOYaycHLfEE6IuU8DmLu8DXt662rRM97M,11045
macer/externals/mace_bundled/tools/__init__.py,sha256=VoNEk53D9PWpCG8E0gV1HbJLNp3KR06e502elCJ8--0,1802
macer/externals/mace_bundled/tools/arg_parser.py,sha256=PsDkxzpco-5h5Y8tCOmaZH43X5YzU2mn4_vXLPmzOVg,34306
macer/externals/mace_bundled/tools/arg_parser_tools.py,sha256=NXkJy7SpS6Aph6osDjJt_owYlUREzMV_sCIWU3CuvLk,4931
macer/externals/mace_bundled/tools/cg.py,sha256=BJZElB3iIuLmk-0g6kJU0Y4-dCW81q4SW9yqRO7sbcQ,9709
macer/externals/mace_bundled/tools/cg_cueq_tools.py,sha256=WYpQnqz9jNiIksCber147WfY45MdlL0YE5ZVsL0UU7c,6619
macer/externals/mace_bundled/tools/checkpoint.py,sha256=AD89QZLFAlUTWjp6pEDEiooeATg7za3LyAF4KMR4e9o,7621
macer/externals/mace_bundled/tools/compile.py,sha256=JRlgmdzvsGrxPvsooNtHoSDqZsdDiz46MAYKoUQQQks,2869
macer/externals/mace_bundled/tools/default_keys.py,sha256=wRJSsNAbdJ7NbN1fGBn10DDcQJj-bJG2zLWmJ8dCzkw,649
macer/externals/mace_bundled/tools/distributed_tools.py,sha256=9G-gPeqnp7v21lTFHMxKCLoOS-htJFOTjJ43-5lhGgs,2261
macer/externals/mace_bundled/tools/finetuning_utils.py,sha256=E9APnjtnTFeYlLSbTK32IYSGI6QPy_BIIoISrSZ06ro,8314
macer/externals/mace_bundled/tools/model_script_utils.py,sha256=eGbMTBUw2MDjd2RdmFXheRIq-zqtqEmiPA7Uc4eoT-Y,15071
macer/externals/mace_bundled/tools/multihead_tools.py,sha256=dkzbABqd5l3o2VqDOVk6Qd2PpMDW0ZLrMg1CByrGpYM,16853
macer/externals/mace_bundled/tools/run_train_utils.py,sha256=F6HXdveGCL18vPKP5i9LAYk6NX8VT19Vo32a8Ui7kcY,7141
macer/externals/mace_bundled/tools/scatter.py,sha256=et32qqnfJSQ6m_ioWZZxQNVApVdRwUkWHc-Q4BQyzzI,3372
macer/externals/mace_bundled/tools/scripts_utils.py,sha256=neKgGeRnU-lHbLN8g1RQ8W7eZ9SjyUuGes6ZW13tU_o,39342
macer/externals/mace_bundled/tools/slurm_distributed.py,sha256=n_u8jose8ptMJbhKjd_uw4TsWomZqDYKnukEinK-_BQ,2252
macer/externals/mace_bundled/tools/tables_utils.py,sha256=gZczylHXGXPNp-vhYjFINFv8UDoC236V-sV3vC6RM4c,8739
macer/externals/mace_bundled/tools/torch_tools.py,sha256=kkJyDok-DO_oXYQPLZ_eKer4rioT1fuZjTe3X1Btwdk,4962
macer/externals/mace_bundled/tools/train.py,sha256=9AjWFqxJsy-2vpyL10H06mZDqLGPx4O9gsJA6KDT4ek,29720
macer/externals/mace_bundled/tools/utils.py,sha256=rqG5pqQKNuGwEAa3U5Rw4tRwHFO_BRqHo8vy79ExVh0,6488
macer/externals/mace_bundled/tools/fairchem_dataset/__init__.py,sha256=xPZVZpXX8N38S36W9bUSAPXC-Qa01B5rSZJQXg4JsfY,76
macer/externals/mace_bundled/tools/fairchem_dataset/lmdb_dataset_tools.py,sha256=8Oqp7rLIBjure_XkLJgfDjjfifrVZtlGOednayvFt74,36885
macer/externals/mace_bundled/tools/torch_geometric/__init__.py,sha256=iqfsIwldWM1sM-3fDRzCok3Fw6FpWs9CrWnboCCU2EY,226
macer/externals/mace_bundled/tools/torch_geometric/batch.py,sha256=XnF44ZMQva4UR6gXa3XqhRRX0gbkwYIyZJAyi_P_qVE,10160
macer/externals/mace_bundled/tools/torch_geometric/data.py,sha256=NdoFs2jV2jSHTmLCs2dI3JtATw9majX4SnEt9vkERG8,17010
macer/externals/mace_bundled/tools/torch_geometric/dataloader.py,sha256=dC_CxmFBioSlqpiFiQ8D_pWM3makrfALnDb1t1DYmG0,3189
macer/externals/mace_bundled/tools/torch_geometric/dataset.py,sha256=yZz59UWAC16IGOSDXCMLmBhA2Mbj2KvdoWNmZLvWMiw,10237
macer/externals/mace_bundled/tools/torch_geometric/seed.py,sha256=eSp7V0SFVDO2fiOrdiv5oz2b5t9qhLCVzT__XRta_3M,371
macer/externals/mace_bundled/tools/torch_geometric/utils.py,sha256=i0RcU53glVaUJXAkDEHl4cwu-3xTBjQrPcUzfCgImXQ,1367
macer/externals/seekpath_bundled/LICENSE,sha256=irvggz1JHIbl_19rXMRBAJ3azsxnnk8kBPynBdXr1RQ,1087
macer/externals/seekpath_bundled/__init__.py,sha256=xb8-qma9cIFYkOEaLDkCCoGaM0YAgrGYzhbRmuExm0o,1774
macer/externals/seekpath_bundled/getpaths.py,sha256=e6jUfzLJiccjzQnqw08UDBqCghyofAYuVUPKw38xq0k,26900
macer/externals/seekpath_bundled/util.py,sha256=-dJpJvq-GN81FgvLPZa2G0M02e0G0uPfTZFAl_e0FS0,1761
macer/externals/seekpath_bundled/brillouinzone/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/seekpath_bundled/brillouinzone/brillouinzone.py,sha256=tltInJ2sPcr16BRNDj7ykFO4UL14NpmgK72PvFoPTyY,16865
macer/externals/seekpath_bundled/hpkot/__init__.py,sha256=AUJLowV2v3f-xyZlmcela_hU-qfg3KvWdfDZ6YjGLQg,21773
macer/externals/seekpath_bundled/hpkot/spg_db.py,sha256=ITOpDMgDebH1ghJi6ZFtuqtOQrtXomjdVT6RXbZ9v3g,10138
macer/externals/seekpath_bundled/hpkot/spg_mapping.py,sha256=DhBTX6tHi3sUeWjrNsKuQPUnYflh-lU1zge8IvESHl0,11768
macer/externals/seekpath_bundled/hpkot/tools.py,sha256=fTtKGRUNDRofM7AH97Z2JDAI7bLSLZqOTBG3DBl1FZY,14375
macer/externals/spglib_bundled/LICENSE,sha256=hN72Xo40GY5k0GmR66NeIHPSp4vNoe_dnBfRtz1BK8U,1497
macer/externals/spglib_bundled/__init__.py,sha256=Ck5v7dtP-oyWluTsAgG1jJIonJLnKp3V374sUonse3Y,1343
macer/externals/spglib_bundled/_internal.py,sha256=VVqhAPbashVTLN8GGrCJ-XJEx6b_vxasB8_R2uSOrQQ,13090
macer/externals/spglib_bundled/_spglib.pyi,sha256=B5rKs1EccbMP8MONDOF3KcEArbFg0nAmASZO082T2AQ,5388
macer/externals/spglib_bundled/cell.py,sha256=CK-iAGyMIQABtEtvj4-1Oi3hJh0NFqT2S20JrQfVtVY,5012
macer/externals/spglib_bundled/error.py,sha256=Vltx7cWGrXXVRKJeOTbhsWznV0s7fCbOf0oB0RlBExY,4840
macer/externals/spglib_bundled/kpoints.py,sha256=1_X-6WlWwSlsrx7wt7Ae6lbS9VISGSuuh1wk1v6bTDY,2824
macer/externals/spglib_bundled/msg.py,sha256=fGB6Qzf4e9O5Tm-K-AiMlEI2JG_Wxc0Yicgb6Zgevg4,16477
macer/externals/spglib_bundled/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/spglib_bundled/reduce.py,sha256=yoK0-kFKUmVx9fI8cQ4Gw1Ba1AmrPoYGLrXa_GQ-BRI,4671
macer/externals/spglib_bundled/spg.py,sha256=zlHBooA5ymIwPSzuAoAr9r5wErJVY54xYZheO4B4S7s,22599
macer/externals/spglib_bundled/utils.py,sha256=-cFstByytSieDR-JwLWtqwy0g7M-OaePe-wBHVrf0EE,5507
macer/externals/spglib_bundled/_compat/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/spglib_bundled/_compat/typing.py,sha256=r8qH_3FKUFv-yCQwrFCvNi9MD4rqkbqSPT6ow5bAyiU,170
macer/externals/spglib_bundled/_compat/warnings.py,sha256=n9CBp4iNLy173zy3QtMAU9qE0dxddxoqmcIRptjJAU8,214
macer/externals/spglib_bundled/_compat/importlib/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/spglib_bundled/_compat/importlib/resources.py,sha256=2gh15Vuk-Rhjr7SZOUvtRex8_JmRAKlEhkBTyVn7bt0,207
macer/externals/symfc_bundled/LICENSE,sha256=hN72Xo40GY5k0GmR66NeIHPSp4vNoe_dnBfRtz1BK8U,1497
macer/externals/symfc_bundled/__init__.py,sha256=nhSe6-U6YkIhK9uHZzQ35cWGhRgt3bkdQpz003QMnEM,182
macer/externals/symfc_bundled/api_symfc.py,sha256=w7T8QFlONwXXSekL2v_oLVTd_F6jrtpBtlGNtFYOmxs,23957
macer/externals/symfc_bundled/version.py,sha256=kGcOauGLw5Toabzzw10E7PLh08eDrQTreHcrnbFcuSo,63
macer/externals/symfc_bundled/basis_sets/__init__.py,sha256=QZKnqK8trQJrYFVHIrzui4ZjrUo681D1wpPR1RA9zDg,391
macer/externals/symfc_bundled/basis_sets/basis_sets_O1.py,sha256=o5gQLWJV25pB7iyiGT0nBKULxpWAIj2kknGJ8p34Gww,4405
macer/externals/symfc_bundled/basis_sets/basis_sets_O2.py,sha256=GV5k3P9FAy-epDXb1qK8cRvSJo6vQgYwRQywV5wnhSQ,7070
macer/externals/symfc_bundled/basis_sets/basis_sets_O3.py,sha256=oQHX54CgRWiuHIO9dTmayZz7gRbORyy92kFdOARqQNQ,8668
macer/externals/symfc_bundled/basis_sets/basis_sets_O4.py,sha256=WIIanC_OwgeiQ47kDrC-_x0-aMQDOoqCJqp9mnt_PBg,8484
macer/externals/symfc_bundled/basis_sets/basis_sets_base.py,sha256=lTu3usSctQP39wf6KL4zBK0OkK6aPmlqAf_ne8220l0,3424
macer/externals/symfc_bundled/solvers/__init__.py,sha256=d_OJqxpA7Xg2jnoI78GHbC79-2WL9uznQmA5k7QL_IU,533
macer/externals/symfc_bundled/solvers/solver_O2.py,sha256=ovF3Y8Ya9CZpWAO2qdzcMSkwZY9Kt6EAijFoU8CwG_4,8724
macer/externals/symfc_bundled/solvers/solver_O2O3.py,sha256=YCjeCt5lSeoVwczz1GHdNzJtoNBVc0PbYX_DWJWJQaQ,14015
macer/externals/symfc_bundled/solvers/solver_O2O3O4.py,sha256=nugppdBaSoo4FKRL39k4nK1K-LPI5WY3167n30SzFg0,17471
macer/externals/symfc_bundled/solvers/solver_O3.py,sha256=evZHnBynxoSQGvf9j7gaX0gR0t28HDYmTKOwBvcMyzw,7828
macer/externals/symfc_bundled/solvers/solver_O3O4.py,sha256=EQaMKT6wjMEYpR_XGGijKO9H7VjMSHsr8TDSU47OsWw,12071
macer/externals/symfc_bundled/solvers/solver_O4.py,sha256=UHParne89kw6j0Fq06kf9JQebCJvKvuF3BI4Wuoojl0,7886
macer/externals/symfc_bundled/solvers/solver_base.py,sha256=xKhqsaIvUj27by9Mx_-vyWhvlHPkAnO9OODUwYtth2s,1669
macer/externals/symfc_bundled/solvers/sparse_solver_O2.py,sha256=ikUP2-4tIRcUvesUNY3EVLU45UCpK-E9mavAyN8-GIU,3577
macer/externals/symfc_bundled/spg_reps/__init__.py,sha256=clvfZYTlRvVL6mEXCeYQqGoiP31J_taW8552X8ljOnc,366
macer/externals/symfc_bundled/spg_reps/spg_reps_O1.py,sha256=qFQeCSi3im98_b7oHggeDQcAKNiPThsvK3Dr-UT4Omc,2803
macer/externals/symfc_bundled/spg_reps/spg_reps_O2.py,sha256=Ii9xjiY9tzVkj7x2TbcUKfE02_crMN57nmljCe4GFFI,6014
macer/externals/symfc_bundled/spg_reps/spg_reps_O3.py,sha256=FYqe-_WCY_lu4Vt8o1wd5kdebl_pJivEFTsGVTFF9tk,3625
macer/externals/symfc_bundled/spg_reps/spg_reps_O4.py,sha256=gHaIQ06mhT9b0DhKuCkK86n5RbJMBV3DzuqgN_E1ZCY,3779
macer/externals/symfc_bundled/spg_reps/spg_reps_base.py,sha256=VKyzrouHQ7MENJ11IWazUbU7P8C2todGX2ZPCjyV5sQ,5003
macer/externals/symfc_bundled/utils/cutoff_tools.py,sha256=-fzTkh4dsuL744yBCbK_uO5JEUrAHhGPob0x0jJywBk,9289
macer/externals/symfc_bundled/utils/eig_tools.py,sha256=pWsmrrBvDu41C-x-74zFrdoOWCFQA7mDkoyFGaQXbaM,21300
macer/externals/symfc_bundled/utils/graph.py,sha256=DEothCEQlg6iihTB5G0xogs4ijLuPiPwy15DCEGanL0,1408
macer/externals/symfc_bundled/utils/matrix.py,sha256=nBwESWmqqTdZScylRkAkwIXBbjMNabikimGJBPvfp-U,17692
macer/externals/symfc_bundled/utils/permutation_tools.py,sha256=oJKgXJgKaeQnxC7Yyz27Pttf7knM0hzebxPR77IMJFY,3679
macer/externals/symfc_bundled/utils/permutation_tools_O2.py,sha256=6Cs7SuTun11Q4iM9BWNOS_j8ztgkleTA0lk31kw3ULs,5009
macer/externals/symfc_bundled/utils/permutation_tools_O3.py,sha256=TtCG2y5y-L-W8ayrbCqzBQcYSdZnCdnX-JM6z-xkZoY,5896
macer/externals/symfc_bundled/utils/permutation_tools_O4.py,sha256=aZ8eSr7AqZHLeI3c_3vz_a3I3wIG0R9BBQwaajDjwWw,7369
macer/externals/symfc_bundled/utils/rotation_tools_O2.py,sha256=mRTGxu-jSxGxsyh6IBOtlVQVTpS5Y4ORaJtuS8sG18c,3285
macer/externals/symfc_bundled/utils/solver_funcs.py,sha256=6uOyKdWCdYlnifx0LecshdKG23d1LLCw6Ur8lLa7w3E,2322
macer/externals/symfc_bundled/utils/translation_tools_O1.py,sha256=YN4oV-_mtnQc8k7pML98gMBTDjhVF7NUyoZDpxw7bIw,1660
macer/externals/symfc_bundled/utils/translation_tools_O2.py,sha256=rTXhsbqFb4rcWF4FUefp63w4Zy5LQmwpgZZIVZNfU_o,10994
macer/externals/symfc_bundled/utils/translation_tools_O3.py,sha256=VFUKSeGadXhLxVyu----Y1CQCQTHNZJZE-tCWUAmPVg,11609
macer/externals/symfc_bundled/utils/translation_tools_O4.py,sha256=Us1FxVFHTNgGQsgAfiCgF5er0iWBbrDKnKXCrTgeYiU,11697
macer/externals/symfc_bundled/utils/utils.py,sha256=mMGNeK8GFysN9Y6ZuYFW7y6RGsOK6FvM7b2Z3FbB0Pw,11803
macer/externals/symfc_bundled/utils/utils_O1.py,sha256=NQ7CnYXrSMBZ20RPAG8WMOBifaYve-Z_bDIaMt9EfsU,5309
macer/externals/symfc_bundled/utils/utils_O2.py,sha256=snjQJWFR4QLPbinmJIxfHjsTQqzO7t2gwTsxduSJTQk,10599
macer/externals/symfc_bundled/utils/utils_O3.py,sha256=3aWAybvhiiZzOx7xUcDT_wATaLRY-Ik0QQ6sQrrlBWs,8886
macer/externals/symfc_bundled/utils/utils_O4.py,sha256=qU48SyZ2zQjSlrVVmXEHS4zoeLSKMR6_WalkJsD3lmE,9168
macer/externals/symfc_bundled/utils/rotation_dev/run_rotation_tools_O2.py,sha256=rTYD6yYA3rL2ZWqggccZK4B5PNP-xP7A3sKtruBRy5U,11846
macer/externals/symfc_bundled/utils/rotation_dev/run_rotation_tools_O3.py,sha256=DGY4LrlSJXgzMgq60v1O7t6vxE9subYFZp5zQPTY9EU,10521
macer/externals/symfc_bundled/utils/rotation_dev/run_test_O2.py,sha256=Z4DnGfFb_Iya3jsOHPS_IfURpR-9GQBBxRQPu6b8J0I,7542
macer/externals/torch_cluster_bundled/LICENSE,sha256=KnbLopkghNhNL8D-g2NBlt7IFAyAQozdakFonS2v8S8,1085
macer/externals/torch_cluster_bundled/__init__.py,sha256=XUz3dll_bvPFiE81dtm_GJOBXeiq_DNzs4kEjnT2Bbg,4242
macer/externals/torch_scatter_bundled/LICENSE,sha256=KnbLopkghNhNL8D-g2NBlt7IFAyAQozdakFonS2v8S8,1085
macer/externals/torch_scatter_bundled/__init__.py,sha256=alSsP-r6P3zbNDrQfPlRFNEczFFLmaQzA6ZujgIFgHM,3884
macer/io/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/io/plotting.py,sha256=fKOMDm6Sbc3OSZkWs4kzKAmckFcemcTZiY7r6EXBR9w,4148
macer/io/writers.py,sha256=aI9ArGr5yArFQXMcfOum0iPJ_UKkxRknPZKqGcPQ4BE,13752
macer/io/pymlff/__init__.py,sha256=dL-aokYMBUHbWo34bYdTPw5oDfJDy8uU5qcMqhPymlM,130
macer/io/pymlff/_version.py,sha256=Jk831FXkJ2MQZxfDdn9gCJlIAQmBgXkQhqS1dp4Oyuo,212
macer/io/pymlff/cli.py,sha256=Hgy6uVKyl1bQgS9Nti_29TcCrSK_Fc92-wRgBdlolVQ,1717
macer/io/pymlff/core.py,sha256=rfSXlwmvoHeqSLKecQYQOQlliK5TXiCwI3z20As9ETA,10792
macer/io/pymlff/io.py,sha256=GL5XWu-Jr8zQTY33wu_KlY2LU9JjgUVzPG7brC2I97c,18160
macer/io/pymlff/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/molecular_dynamics/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/molecular_dynamics/cli.py,sha256=umAs-2hw8jDtova2Uo_Cy2E9ZyEY4VTiG9LtT7T_Vo4,74262
macer/molecular_dynamics/gibbs.py,sha256=brWxQRH4m_gyLTWR0QoD-fG6wdKVTr7l0lHonfjw8_M,27783
macer/molecular_dynamics/replica.py,sha256=OBfhJjQ4jTVJuDCXIQKlFhSrjPDQbwCMSS-S3Mkid5I,29684
macer/molecular_dynamics/restart.py,sha256=1C9sKTvsiU5oYRdhBwzgoF_D4co6pgeUDCrurtylPrQ,10137
macer/molecular_dynamics/pimd/__init__.py,sha256=kBhz4Gg0pkI7CGCwjjsincdBk5YjIfZBoqFikCjsvds,223
macer/molecular_dynamics/pimd/calculator_bridge.py,sha256=UHExVwryPVqGJcxCKr6qLiv6ZSIo-wLdtUeZK0T77Zs,6596
macer/molecular_dynamics/pimd/cli.py,sha256=rvKxMGczaFN765L_NvkJTkrqB5HfznIWEBGEAxA1ppg,18881
macer/molecular_dynamics/pimd/external_linker.py,sha256=qVq6I14Sz4dXqC-T9mU0oryU39b1uVRkhmQjmE2adYg,48709
macer/molecular_dynamics/pimd/integrator.py,sha256=Z5Eh7FfSdvE_BZb_Z-A8tTDZe-Qno690rUgfktzCYpM,1859
macer/molecular_dynamics/pimd/io.py,sha256=yV67yxo9zGhFmAZFjAIxDS8QzSADaLuoaslds_Ikj-k,3381
macer/molecular_dynamics/pimd/params.py,sha256=sXKvq1ywG4932C6fcD1fZgRpXZjd9qLHpJjw_2aeWyQ,4956
macer/molecular_dynamics/pimd/parser.py,sha256=owciUpFe35dxf7XCY5eAQDGpHL7F4BhBHAyaTRTdumA,203
macer/molecular_dynamics/pimd/runner.py,sha256=_jZFLMp65ioQt7sqqZSHM8koQouyneS6mmZhIe3VO0s,1126
macer/phonopy/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/phonopy/band_path.py,sha256=7LaST7S2cxKOKAV-7Akb3jyhAl4LXn3RKHgDreep-j8,14707
macer/phonopy/displacement_sampling.py,sha256=CoHavUJ-QaZmodRURVS9MD21HyU1x-xDBF6QUI7lpFI,6541
macer/phonopy/dynaphopy.py,sha256=iqwGr6_5VDANp9RwRlPAK-fDX3R5kUiH8ljDqQdkxOg,37648
macer/phonopy/nac.py,sha256=LFxNd04o6NR08DdjaBjmwx70avCQx3zFuk9YB22i6_w,3849
macer/phonopy/phonon_band.py,sha256=Rs_85YHg3zYlQl4c751m9vugmgF2cdrW3fcBjQc0TzA,74116
macer/phonopy/qha.py,sha256=7yA33R4asYY5TKQ5kpCsLbcvEHfND5bWfa4RGIEtRqw,64683
macer/phonopy/qscaild.py,sha256=q1bYIq65uK4e-vJ9ahz0grr6adr-LNw04Ktd3migQtc,198210
macer/phonopy/relax_unit.py,sha256=O7KO3_swXc7pA670TIR3hlUqt9L5x9X3jP_KWoMHgv4,21305
macer/phonopy/sscha.py,sha256=XhwDDL3INi9GIHSCVNz36KQ4TEjE5MfRdP7UPiu_F8c,188510
macer/phonopy/thermal_conductivity.py,sha256=TGqMcKsmTJNpzZ8smuzc8YDu7Nb64Tgl-Z_SqqcWHQQ,71212
macer/phonopy/write_arrow_phonopy.py,sha256=07oxBSDZutvCBTOFgJe4_Cr4auQMvqSetSCV0dg8-as,23642
macer/pimd/__init__.py,sha256=ag5qRD4pfIOKoL9ZyBfjEvPFuy-hYSJ5NlArUeaTxGg,193
macer/pimd/cli.py,sha256=9TbF5Gn-9y_8s7VdtNgqgPbG3hhFJBZr5i0MEd4LTj8,32798
macer/pimd/energy.py,sha256=TGqT5egIV8k2e__IDi1RX1SLXryrjh7Xtf_QzXyS_tk,5186
macer/pimd/force_bridge.py,sha256=rcRIp68835xWOemD2gX8rv0c3SlM1bY7rEaxR84_cbE,4408
macer/pimd/initial_displacement.py,sha256=-b1OOfdE_etqX1ydFskKjKEKSdCkhtpE6zJKDL8n6IA,18169
macer/pimd/initialize.py,sha256=GyYRj618Q4pqjXzv3V5sjDpfadj3IPmsGlj1dT0AT5g,15276
macer/pimd/integrators.py,sha256=9H00fj-2fqbB_TEr-QskYkzCZLy2PIWOE9q8jx-eMSQ,6834
macer/pimd/npt_stepper.py,sha256=qNgfMfsdQW5uq6OX5VL3yA7xRR7MlXJVSPPc4JFuCpw,25157
macer/pimd/replica.py,sha256=RUBccEIzAjPtv9mIc5Qr2bVa1YQ8GWZ65sz8DHgwfOQ,28046
macer/pimd/restart.py,sha256=R3E9P4aUx6HLswz3vH7mtIyWVEUWCxQHU8b8B4yEkxY,9313
macer/pimd/runner.py,sha256=7bek8BbCoWINpQcvON2wvO9IouKfHX4fI-ZohOgZ9zw,43619
macer/pimd/state.py,sha256=ZZUtNr0cpyAo5C-a6mi5nWpJJhQFW_qwZPwTopNw18w,3479
macer/pimd/test_run.py,sha256=H92k3LKY92prUfsTUpIYtzWKRWBzTTVhfGxMolUtIF8,1642
macer/pimd/thermostat.py,sha256=_dTeo5-AGs9ZD5zEyFTl_k5FvLzJlGZ-OhC0pdOcMHc,7011
macer/pimd/transforms.py,sha256=x4bGEsP3TJj5ZTHpRPDOaHW_2JbTUkJT4OtNH3_IcJg,1759
macer/pimd/verify_equivalence.py,sha256=Hr6umwn5-51zLehLpnm_t7ClIxaB0HIF2QWsncc70bU,9340
macer/pimd/verify_npt.py,sha256=x_HqC0AWAepog3SWcPw38_tKOPwV1LLGcnrXtbZiCBA,2468
macer/pimd/verify_nvt_guard.py,sha256=EvNBvsAVQNGwvUzTK1pGUqB_eeoqfsARCiGY_E49L8o,7263
macer/pimd/verify_parity_runner.py,sha256=qVzV1vZ2vxXKHqFC56_xvn-GpB_lLdco-mOtg5kauKg,3587
macer/pimd/verify_restart.py,sha256=4o4TzBCkE_4HF907KPhZH1hZzsIcFMdxMDXK5D3qIKw,2654
macer/pydefect/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/pydefect/cpd.py,sha256=JHMPxF4izYAPZXA63kl2bzVTaEcpOwyV8v-INm73UTA,16432
macer/pydefect/defect.py,sha256=6tcquP1Ttt5QdG9owdox-zHc45QONWWIAlRN9TKaoC0,10333
macer/pydefect/full.py,sha256=Kfms713L9DPHsyZats52VTpQ9Pra0Owxo4RGgnRo9HA,23772
macer/pydefect/utils.py,sha256=3wJSd9wExioBFsJNaarJzuG5Dm0a8AnqYMiEXybqM04,56165
macer/relaxation/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/relaxation/bulk_modulus.py,sha256=lOCEMXHgx6GGNgUg6qVA58ApAKhOBXfnG_3nDKwxJKQ,7547
macer/relaxation/isif.py,sha256=Rvqmui4ucTdgJJ6RmawUFRL5aBgK3khUbOjrTxLmqmI,2803
macer/relaxation/optimizer.py,sha256=MTmM82zKKY34MmppN4vO4GsLUxUBqGfGeRWXv162xfI,12392
macer/training/data_prep.py,sha256=BLX_c0L6p8NpRXpG2wNKWJXALv9FsTbkoyu571Oge7s,19722
macer/training/finetune.py,sha256=yag1JS6OBLZDWkaJ_TTWaRxw-bsRZTcdl-kJtIooXE8,17623
macer/training/mace_mps_patch.py,sha256=1sGXlULeNeYqgxn2rYgOnFsmNdcrB97XaaXSrThKBag,1453
macer/training/mace_trainer.py,sha256=ISr8wVeEyS405ocmMcTayb3h5SxupX96xCZIsJm2jbk,9924
macer/training/trainer.py,sha256=_ibba8CQj_TYLJ-1QlbzfNNyX9bxWCfWV-E0csFfsto,5228
macer/utils/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/utils/crystal_tools.py,sha256=XBVcRcX8ZCBHHq2ferQ5KW38rkM_LSczxcQuxFk0ywE,23804
macer/utils/dataset_tools.py,sha256=Zf5OAvWNYePSfLtKhHQmKcLke-8PTi7Aa850m2ssINc,6333
macer/utils/evaluation.py,sha256=P8FQlgiNQ78jizgWXaQFajuWvc5oRXNMnckgJwOARtk,12677
macer/utils/finetuning_mattersim.py,sha256=9_cbEtk6d_VPga5CI8LmTswrNeuDHc_rAL6uw5QqNPc,41218
macer/utils/fix_dynaphopy.py,sha256=ILAdozfALcNEfT64wc868Q-Gs3HlapfReYvFJVw5loE,3500
macer/utils/logger.py,sha256=iNtMphwJWacUH8EJTEQrxCq0W0ujbSUVX4k0S1BoaQQ,677
macer/utils/md_tools.py,sha256=iucnk1BNxrTS8jukOWibRbQBbRCrExVXn4E6WJ12bSI,62320
macer/utils/model_manager.py,sha256=PlppOyhrhh20CxLgU8kLg6vesWSrcRAaeGaRdomz-ls,18834
macer/utils/model_tools.py,sha256=ee6du46yiagxQ4p68JaYAvHNhLO_bgsbJ03F4XmuuD8,9518
macer/utils/pimd_analysis2_tools.py,sha256=Obn_eHcYxSZ1ig1PhO9UP_9rmSfkEudhIzY8eHJcsqg,71752
macer/utils/pimd_tools.py,sha256=q_FNIYGHx7aEEEIAK9N-xRfNKSbMZkAnFRHYrEAejqY,77848
macer/utils/sscha_anomaly.py,sha256=tklQLzXrtzIxr-z5EBhDh6P13pfN6h5kO23iuN3-eQY,7141
macer/utils/sscha_band_check.py,sha256=H8ZSc5TnnR3eGTI5mvefw-4UZwTSQCUy-OHvzUV0MdA,2968
macer/utils/sscha_cycle_compare.py,sha256=MNkUr88DuiudlE6wsnwUzX3EFnBR8tzUoMPK5UregWI,3668
macer/utils/sscha_distribution.py,sha256=gNLq7uqPPd58fPePD1_Gp26rxBL-UgfYvpHpMes5-WQ,8886
macer/utils/sscha_export_dataset.py,sha256=cLjEvZ8p3EHItpW2_SaRCKjpFy9FDbI7ZHynTtki9zA,3444
macer/utils/sscha_free_energy_replay.py,sha256=evJkRVhSOlLwtcFQk5a6JOC4ta2SSJaquuZKvWxsknM,4584
macer/utils/sscha_report.py,sha256=oMeYfWfv2YiXXzWyx3B7XgOkjOJOy4gVLNuyi_2EMmg,3139
macer/utils/sscha_summary.py,sha256=w9GWy5BE3K5WHpNdmnaTfZuOkiMG5M5DrMYv1mEnuS0,9642
macer/utils/sscha_thermo.py,sha256=00FXkCpfd61C4xmy8PQgKumBoXenCfIVwnBY1klveHI,24481
macer/utils/sscha_weights.py,sha256=TnhPEQwf0Nlv9pKTKi2bzBErmLeYMSRGQWmzzL6jndI,4614
macer/utils/struct_tools.py,sha256=IEVhY_ZYD2BrOaVB9fSK7Gjrl_xMw-5WeKuT-vnsUYY,7654
macer/utils/training_mace.py,sha256=8-t97HEdguzB7mlKJ0HvO2WcASEl_gkW4JCYSHTRimw,4087
macer/utils/validation.py,sha256=uwA3EN4-9ykosXW_-5gVUsPNJblUuVys-S3x8JdK4lg,1888
macer/utils/viz_tools.py,sha256=0GTmi2-KharnXOyP8RdW92lR35EzYPy2gg86SpGQajI,83782
macer-0.3.4.dist-info/licenses/LICENSE,sha256=c1DjL7rGHIdIE0Dpuhba2ZpliPj99YkTEl7wqciiqhM,1090
scripts/average_Gruneisen_Brillouin_zone.py,sha256=JqEy0MbOxju2MueYZBYz6ATwvklnVoGGQMbRuU-dhnQ,10280
scripts/benchmark_batch_sweep.py,sha256=jsJqIJISfU775jOBc3miaI5da46ploefyvztYm6Hvv0,14732
scripts/brillouin_zone_plot.py,sha256=yVb9f3A0AvekJganyLD8Gg7YMknqMYSV6b0Yl9v48zg,10638
scripts/compare_qscaild_with_reference.py,sha256=6Bopf1OGFuinZmlhM2gdBT5tZ6xzZ3qsEpAGL_--vXY,3120
scripts/install_hpc_cuda.sh,sha256=RIn5ANn6QJmlYmFbXvxiKIlRPbUQMyCdZiB7ZZSvyoU,383
scripts/print-gruneisen-hdf5.py,sha256=JnxMdSFl95H9w_RBfCpLtuOACm-6SLRG-nBIhBkRQ2A,2278
scripts/run_mace_ase_relax.py,sha256=MmnHr5Hos86OAaIJN1830BdSqQDx7f0dufjIoU8mrUQ,23394
scripts/run_macer_phonopy-script.py,sha256=drOgjeMMcYr7hgAo3MUWmdgjmhDXYM-PObMiITauU5I,10775
scripts/run_macer_qha-script.py,sha256=Avg1893YaVPTLBQxzAiI1Mjvu9NCnnednRX2OG8RvAE,18047
scripts/run_qscaild_reference_smoke.py,sha256=GV45336rGLUH_vcLy1t9Q_mDwkooq0VYU6XmuVOpQVY,5230
scripts/run_qscaild_with_macer.sh,sha256=lVzGuX-hz0Ky4gnmNN5oGrsy6BBth4s_hC7Z6bC5thk,4709
scripts/run_sscha_case.py,sha256=W16jXMcthpGnY4wQcRaXLiJQpCc8BlyiRM5Q6lOS2Iw,3635
scripts/seekpath2bandconf.py,sha256=f21PdQ0HzQNFtxs2bwZMKOtYt_5Ho39ikeD4XHUcXz8,13058
scripts/validate_qscaild_phase.py,sha256=6gBlmOeGNdiFaNfMZSbhxxVg_Jlu892RMwbL_27OI2g,2291
scripts/visualize_gruneisen_bz.py,sha256=Gid8lWuqwb_gXySyh9N9Fa0rH4g7kiQpaL_8C70YasQ,12001
scripts/write-arrow-vesta.sh,sha256=UrkwcRdIOSPgY3p29-nOMaGrZdBOcWslER0fgQdBXBo,11956
scripts/write-arrow_phonopy.py,sha256=Youa_kYBkS-rbqqIhJi-4SysKtOAC4qh4-RltHRuXYY,10311
scripts/md/calculate_conductivity.py,sha256=oqxjvbqfYsfED-PqkwM406-Zt3Y3BfOYDZV7bhmu9Bk,13549
scripts/md/mace_ase_md.py,sha256=RQXLCL7Si0ANhD4l7TLLddazM870O8dvn10HRWHr7UE,10430
scripts/pydefect/run_auto_cpd.py,sha256=q5Lvi52HowBI12HJWMDDWMfOc6SmyeJKzuSEreMB-mA,12612
scripts/pydefect/run_auto_defect-full.py,sha256=EoTwrgOrocQPTAEK8NmJCVVQDx66sghL35ptOvPeunY,18415
scripts/pydefect/run_auto_defect.py,sha256=ZwGO1XHSHXRPW296Njlj3m5PuUplKr7qPGOwhs1pdLY,11543
macer-0.3.4.dist-info/METADATA,sha256=CbxEkqsIRvI68oLvU_w3En9Uu6e4pGMeK85UH8r0EJ0,45450
macer-0.3.4.dist-info/WHEEL,sha256=aeYiig01lYGDzBgS8HxWXOg3uV61G9ijOsup-k9o1sk,91
macer-0.3.4.dist-info/entry_points.txt,sha256=nSY0uerJtXgXifvCy3RNl0upk_otDEL3pgP-BqzuN5U,174
macer-0.3.4.dist-info/top_level.txt,sha256=1TPjsR2Ed_56Dl6IKLqW-kfcw985n6G6jUsPcdZXIis,14
macer-0.3.4.dist-info/RECORD,,
