macer/__init__.py,sha256=yIEmktR0R55IpKSshR3H4jxPGnGcNa8rmFHy7p1SC-A,591
macer/defaults.py,sha256=zEaH02GOImgGrG58TPUsSI-Zr_q2URLGbXWVBUtayl4,6979
macer/default.yaml,sha256=RlgAf9yByc74xSoR2ABPAG-A9FSiOOqpVi3xDNMyfm8,875
macer/active_learning/query.py,sha256=lEIls0LjKjGSL_oS8MYEmT9-fMeuhY1l7330crlXnGY,6567
macer/calculator/m3gnet.py,sha256=8TvJFyBeo2J8hL9UePFaJuINvyKJHxE6lDmqx9nqZ3A,3950
macer/calculator/orb.py,sha256=Ph9xoT9hcnm9m3eK20wcbYwU4OMNQ98LHaBAtuqHUBA,2705
macer/calculator/fairchem.py,sha256=3HvO69YoighYFCBHlDN5S6ctU33Tf33TDlE1vD_dsMc,3489
macer/calculator/allegro.py,sha256=RQv5EQouxwGWwhpuR8d6OHjs_zVutsrUHPcuoFrQkgs,1673
macer/calculator/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/calculator/mace.py,sha256=uY7xVLd-JmDQ9c7dzaDaR4jmzIYzvOZSj3WNDV-Vqd0,5360
macer/calculator/factory.py,sha256=C4L_1P97egsvFLshGFRRBK_6PCrYcEmulcHyXflZSY4,2971
macer/calculator/chgnet.py,sha256=mOon3gY2RWw8ozrd0ckKFBZma5ujFsccD-EUPV9eSDA,601
macer/calculator/mattersim.py,sha256=URzg8smDfnW1bEVF50a2VNS_DKGFWf8dKlL7KdRkz08,3211
macer/calculator/sevennet.py,sha256=VBuXUbK71oDA4kY7oVNwnFYb7wOnc2wLVqgQ2Gkhpus,3145
macer/calculator/emt.py,sha256=AhcfIFiveu9ew3FEWr_a7LZvT_ug-_rlmFSo0Uwdjr0,1105
macer/phonopy/phonon_band.py,sha256=Q5RNFCT1cKCxARtgpNqhl_1EA1AYZZG4EVWUZSAVeVw,66575
macer/phonopy/thermal_conductivity.py,sha256=MC4VLScFSGywYaPD0bkb5tLDiEWdBVJ5tmaMWAHGsn0,49695
macer/phonopy/band_path.py,sha256=pcUjgrlejiSzJ2VMoy0MiX5b7WEfX6JJmxZtdSp-n44,14294
macer/phonopy/write_arrow_phonopy.py,sha256=3Lakmm6KB5Ydo16GTJuBVcYZyuPMRJXfsEBS6IxzB5I,23036
macer/phonopy/qha.py,sha256=86_b8I5B-9IdIYgHKoTcpp6cAInOaXNc1wTuLEJUxTI,53432
macer/phonopy/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/phonopy/sscha.py,sha256=Qc6AyEXHtgBMyY2aOJ3DXGMCZnJ9ZA-eNcSAnlyZ51Y,60449
macer/phonopy/relax_unit.py,sha256=mAUvHR1U-PKJ0mglGYPwfSGXGrixQqvvCSlyNjgCvJc,20537
macer/phonopy/dynaphopy.py,sha256=1I7rK-IbfAbObJsOyxiFT_MQoW8fkBGK_sHfUXonyzM,34135
macer/training/mace_mps_patch.py,sha256=1MmlFY_KhywAyzv9WA1dxd5fE1VpumIDrxcfk3y2Bfw,1412
macer/training/data_prep.py,sha256=rCf7db8yiPt8LKz3UMBoDBwvAxW1FGqvDrfqDLxQj50,2121
macer/training/mace_trainer.py,sha256=g2QXWpfsLayFuZ77jMv9hbjZfBlQ4UglDEKmztRqTP0,9669
macer/training/trainer.py,sha256=aj7jU6hDnAs22F1nlU2DRaY6tSk8DDgkXmnqgLyPq68,5081
macer/training/finetune.py,sha256=_2RD6g7bXf6_F0mQi4sDEyfXKA1oNVdv_2NPEFP05Yw,17040
macer/io/plotting.py,sha256=4AfmbMFqYum4_Lvw9KoYuvqxTWkbBJYb_tZL3gjykYU,2429
macer/io/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/io/writers.py,sha256=0zidqUDXgMqmwzxRhxNhjkfxl7GxtjLK0K4K4piCed8,12184
macer/io/pymlff/_version.py,sha256=YaNNJca56Ht-X2piDcTgygUYo1rBpofDGwm5pMF1vg0,205
macer/io/pymlff/io.py,sha256=un7yLfAqiL1mAZUEszabTuCwe1XruNxomDcOTHNQWA0,14724
macer/io/pymlff/__init__.py,sha256=hWBRQf-5VdlhGZaLfNDMeV0mCfqOX1-SzhNRwyKah98,126
macer/io/pymlff/core.py,sha256=IAlZC7Rs1Q-j8_nfJs1QHzhjxxizFnS1RTFR3OxUTZU,10480
macer/io/pymlff/cli.py,sha256=bz4NXTxCdoTQG5Pnu5Un-XQsTMeE5FdxPUItY4aByGU,1659
macer/io/pymlff/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/__init__.py,sha256=PuvicP1hKlCpUiyrRZ020wAy6yQ0jUGdACYUbl5LeRw,232
macer/externals/symfc_bundled/version.py,sha256=P8nEx2s6vJADtx-Zqim8Qwi7oyRIVeGAS2Pvrwy0zSw,60
macer/externals/symfc_bundled/LICENSE,sha256=en2FjJM174hnYyuCkewYcALkEqWaYFbTJu3O6ddM3Ds,1471
macer/externals/symfc_bundled/__init__.py,sha256=QNie3peLXAcBlyQ_4MlX8yQaNF24Ctuqy1b5d2twiS4,176
macer/externals/symfc_bundled/api_symfc.py,sha256=tMMVXKNpkU2iy7ioZ7PlqC2z4uOUMBfWr6SOQtCuFOA,23289
macer/externals/symfc_bundled/basis_sets/basis_sets_O3.py,sha256=QOjUxwmKM2GoCwfEpSt97lBEzaQbJHHSpYapCvdoySQ,8423
macer/externals/symfc_bundled/basis_sets/basis_sets_O2.py,sha256=U--bH08oQbOdgVTRcutp8-h2XZ_I-EZoeimZ0n2ZuSY,6881
macer/externals/symfc_bundled/basis_sets/__init__.py,sha256=93LFdGTOP_5F9hy1yucwGjfTbFwceFfalKd1PGqh2xo,376
macer/externals/symfc_bundled/basis_sets/basis_sets_base.py,sha256=l42DNQcn-kyArgpMT8Q5j2-6Liwl_eStuKv_qgXYU48,3314
macer/externals/symfc_bundled/basis_sets/basis_sets_O1.py,sha256=bbz6_Akotx2UmZV9wo8BViBdXvjVfloUDFmXMF3jSQU,4280
macer/externals/symfc_bundled/basis_sets/basis_sets_O4.py,sha256=n5Uf2_WUyjKYfoAGJ6TOIpbuz3s0hH02OsGxDapnzTQ,8245
macer/externals/symfc_bundled/solvers/solver_O2.py,sha256=M0w1cVIuBRIUG8F_y158ypWOJkGo3_8_5toV1kpnUfg,8442
macer/externals/symfc_bundled/solvers/solver_O3O4.py,sha256=SBVuMiCcuOUlo6waj7GrOFISkqYJZlYNsXtPaUcJ07M,11717
macer/externals/symfc_bundled/solvers/solver_base.py,sha256=eYghIX6iDeT6yfIX6LXRsoWioI_WXlTFCn5SYjNXr9w,1614
macer/externals/symfc_bundled/solvers/solver_O3.py,sha256=GoIMg13-5cFUG6Tqu-HprfcT8xPa0GrhpKX6O8Op-04,7568
macer/externals/symfc_bundled/solvers/__init__.py,sha256=Gowm3sl6PYeVDrW9oNnLPIumvXBQDBtYBYYb9_KxxQg,512
macer/externals/symfc_bundled/solvers/sparse_solver_O2.py,sha256=FQfWLbzdbW08gZmmEEZmbChXhSJNNXjxlUaoIMXN-ng,3456
macer/externals/symfc_bundled/solvers/solver_O4.py,sha256=VRm_V8OKCkoQPSELXauJZmEK3IEH9Evhi_qnDc73e-w,7622
macer/externals/symfc_bundled/solvers/solver_O2O3O4.py,sha256=idDo8veH1KiJgS2SRgJfWvs5pxVbmmtpOLDKxZxTHhk,16985
macer/externals/symfc_bundled/solvers/solver_O2O3.py,sha256=UsydRUZ2Vtzagq_yu9qhTHhdigm1JZeLQF5HxwckMP4,13604
macer/externals/symfc_bundled/utils/matrix.py,sha256=Vcb4BMuH22DIiy9jwsEbunqRuViwJAg9fyZdkWerLNM,17170
macer/externals/symfc_bundled/utils/permutation_tools.py,sha256=Fs7cQARjUO-Q6uJ2C6FswVsgneHQA2kU3YvL0eWsNQs,3566
macer/externals/symfc_bundled/utils/utils_O1.py,sha256=5v-p8KkpxS5fZrdXXriEdYlGs7_RO0SIhCySeiqMSbg,5136
macer/externals/symfc_bundled/utils/eig_tools.py,sha256=YcRdHYPwTKU0YucrdRGQKZw5xOBMUeSqo6qLA7Urw4Y,20667
macer/externals/symfc_bundled/utils/utils_O4.py,sha256=_cblD7Ul6w9EU0Bt2gVVCMnSUF-6fQZV05bXLylmOhA,8913
macer/externals/symfc_bundled/utils/translation_tools_O4.py,sha256=1L711HQ0LlYfUCvr9RZTDh044buYONo2itRdk8XBYR4,11410
macer/externals/symfc_bundled/utils/solver_funcs.py,sha256=BhP9f6Jx-j7PW5Nh4uXw_RIDW9cbK1Z3WS_FqtIgHEQ,2244
macer/externals/symfc_bundled/utils/graph.py,sha256=nO7EkGl9BCZQwT60cAkR-yWA79UfkG_LSbDgIyBZ2p0,1359
macer/externals/symfc_bundled/utils/permutation_tools_O4.py,sha256=Gj3m5kbAV-3OqHtwmZAaLFHohrAoek2c0_OK1Ifcx5A,7138
macer/externals/symfc_bundled/utils/translation_tools_O1.py,sha256=9m0Sd82kXygi4IEI3Aa5bVDdbSwtm7KOZPGPKBrGuOk,1610
macer/externals/symfc_bundled/utils/translation_tools_O2.py,sha256=Zwc7cCNNMgvGbbRwloeXrfYQGmwFrOn89_gf_WnyzD4,10721
macer/externals/symfc_bundled/utils/rotation_tools_O2.py,sha256=O17GjKLROF_XbEFQZSQR_c26v0UZ2pnwJ4y5-wSky5A,3183
macer/externals/symfc_bundled/utils/permutation_tools_O3.py,sha256=suZITmvcbaV8W3SRQuTXvL7wJpQ58aj9gFt5sDQ9AFE,5722
macer/externals/symfc_bundled/utils/utils.py,sha256=WY8drOoddYHHEh7Nsv90jZl7GJsIw74KIDhEhgIyVP0,11489
macer/externals/symfc_bundled/utils/permutation_tools_O2.py,sha256=ntWUlV5g699_v4p63JhGyfMgRQMGQmqo0yd-vJRkL2Y,4871
macer/externals/symfc_bundled/utils/translation_tools_O3.py,sha256=xtOR_AVVlWNvHwzVaAUrO400p3GX0zy1fTEk90Ee9Gs,11322
macer/externals/symfc_bundled/utils/utils_O3.py,sha256=7Mwh4yrPo7NpS04S1AeQ3fvJlOwa_bh04V_gzXa2YLI,8635
macer/externals/symfc_bundled/utils/cutoff_tools.py,sha256=QkFYaXDavO60ZXLI_kcu9lURBPdgLT1cXtJ8k77iWIk,9034
macer/externals/symfc_bundled/utils/utils_O2.py,sha256=VjHeg53LXvIxOqNaFGOduYWEt-MdRxUiYaobHejMpoo,10277
macer/externals/symfc_bundled/utils/rotation_dev/run_test_O2.py,sha256=I7ExOK08uWE6wyHVcGoJ7ihI3DQZ6hLhSk2LBBfqAVY,7319
macer/externals/symfc_bundled/utils/rotation_dev/run_rotation_tools_O2.py,sha256=ggRmEqDEKgzqqDIHf5Vt66v3nmOsF9OprLHb-Al0ye8,11481
macer/externals/symfc_bundled/utils/rotation_dev/run_rotation_tools_O3.py,sha256=bXBveJCm71XdIQKO1eb0sKi0s9er88jUKkRveMR0bbQ,10187
macer/externals/symfc_bundled/spg_reps/spg_reps_O3.py,sha256=9-spD0Kbjkuwmw1rjz7bmFRpKpjDjDC-m2_gLUR9MAU,3528
macer/externals/symfc_bundled/spg_reps/spg_reps_O2.py,sha256=Nq_ZSkZXPPlVU2zTqgarFCp-95mffewW-2kDAsPonxk,5849
macer/externals/symfc_bundled/spg_reps/spg_reps_base.py,sha256=8eJ7bYyWZH5z58A8Or5S_HK1KxB-o97Q0tJ23DInI7k,4863
macer/externals/symfc_bundled/spg_reps/__init__.py,sha256=HeeqsuMn-n-Fz7-6Z1u4G30-9xZyrzkXM273Flhumrs,351
macer/externals/symfc_bundled/spg_reps/spg_reps_O1.py,sha256=nXxpJkPDbeRyZsYOQHATsmm_TBmqZj1bSyE_H7lr1PM,2719
macer/externals/symfc_bundled/spg_reps/spg_reps_O4.py,sha256=DJ6wEZTjeqcF4-uLA9Qh_NSiOQLdzFb2fhCoy9JmSnk,3681
macer/externals/e3nn_legacy/LICENSE,sha256=edhdLJTGF-vbpznEeot6sfI38zcqVJ0hesF6pZfhLoY,1082
macer/externals/e3nn_legacy/__init__.py,sha256=qwKOwiL9Y-3Vspc9D1HXNiBNXEPUS38DhkFaL7gnWbI,699
macer/externals/e3nn_legacy/nn/_s2act.py,sha256=t5trxLePksjRG-cJKI8pT4GbztTQdwVZB-twZtOspy0,4061
macer/externals/e3nn_legacy/nn/_gate.py,sha256=EY2_Wkeaj78zp6iXg5R2mZIy1ozVo93OY9I2JlE_eEE,5486
macer/externals/e3nn_legacy/nn/_fc.py,sha256=9a4yP7xRUwkaTbYt3C9I4qkMOTsKqQPIF1MwBR1jpxk,2520
macer/externals/e3nn_legacy/nn/_batchnorm.py,sha256=qIjBXTaSHilGKOgvGS6h-4BzNYbLrlx10TXtjLWt9t0,6516
macer/externals/e3nn_legacy/nn/__init__.py,sha256=Oa5Coy_MwoYPBHqkqtqTGPCLN6-IxIzq7KsL4yhI2QU,551
macer/externals/e3nn_legacy/nn/_dropout.py,sha256=bfn6YF3wdz95lFSMUfYOWXdmHqjEN0-Rz3cP2Lo0o4g,1967
macer/externals/e3nn_legacy/nn/_identity.py,sha256=dhuyfMeIsJZelETAhBozNHZynLRdK07oohlYXYpPKGE,998
macer/externals/e3nn_legacy/nn/_normact.py,sha256=9Ey6nCxyWJomBp_MAOnG4pVvo93CyA5yrDwdlFNEY4Y,3785
macer/externals/e3nn_legacy/nn/_so3act.py,sha256=mtpuMKFiWIhZTq0OBFbqGvqzWBeC_3crXKvpiytOydI,1612
macer/externals/e3nn_legacy/nn/_activation.py,sha256=YhWXYMJUQL8clNWoM850NMhs8Ebxnn3ie3QmuIt1MEk,3364
macer/externals/e3nn_legacy/nn/_extract.py,sha256=eDkZkm5dqmRIbHg2x7S2lkua4YzHYBxIjedgCMfLu0A,3590
macer/externals/e3nn_legacy/nn/models/gate_points_2101.py,sha256=YGRumeQ9BKy4vI44CT6MBzSYK8OjNm_1MlHwffybBVo,11237
macer/externals/e3nn_legacy/nn/models/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/e3nn_legacy/nn/models/gate_points_2102.py,sha256=htt6DACnLVifhiLpFR3Q2NYr7itqsY8YDLigJfFZxl0,11608
macer/externals/e3nn_legacy/nn/models/v2106/gate_points_networks.py,sha256=c0E-DHi3tPDEccswcN5cdFPLuUepVDz7OwJjL1YTGSU,7720
macer/externals/e3nn_legacy/nn/models/v2106/gate_points_message_passing.py,sha256=PTWTMb_OoZ-VErMzRSVa4QGXhzLLj_nSjMfF7WZPbuY,6063
macer/externals/e3nn_legacy/nn/models/v2106/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/e3nn_legacy/nn/models/v2106/points_convolution.py,sha256=ToMyYG1-45f4QUACROGPxo4iPBVEDQyU8RYdAqaY6tY,4625
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=vXQ3nyUVtKWk0TLuOb_B5a8IEZl_sc6y715A0WRBadY,5457
macer/externals/e3nn_legacy/nn/models/v2103/conv_points_in_out.py,sha256=Ckwb-sJU9wlKgquDkbUdnULKdnA6lcZPNwvThymxNjM,5071
macer/externals/e3nn_legacy/nn/models/v2103/gate_points_networks.py,sha256=Oqicojxxe4ftdLvbadkIFlPtI9IPLUrPfDSYAsONdBo,6783
macer/externals/e3nn_legacy/nn/models/v2103/gate_points_message_passing.py,sha256=zeaGUYum-8h_k86XLZhVzYJpynnLMYNaJ1f6ZR2vwSk,5487
macer/externals/e3nn_legacy/nn/models/v2103/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/e3nn_legacy/nn/models/v2103/voxel_convolution.py,sha256=xiIu9s_iIHIG5fuUjFPZB7VNqz8jOwBXT1wzzyn0uVE,4870
macer/externals/e3nn_legacy/nn/models/v2103/points_convolution.py,sha256=mIUSs9xCzkVzqvvurFq3LjOeZpe92fLLByb-LG516oM,3946
macer/externals/e3nn_legacy/util/_argtools.py,sha256=KDZSmOKvvJ5AvvDE6hixeTuZcnCTHthZCZgVE6AdctE,6317
macer/externals/e3nn_legacy/util/jit.py,sha256=AtBfJEsDgSGsaN6ESG7UMDuzPVw-bKctC_1bLfpoIJI,9334
macer/externals/e3nn_legacy/util/default_type.py,sha256=kMDWBoXHX7tha1GjxZstcCtCvKJvbLz-Xp2CpUGrB_8,3249
macer/externals/e3nn_legacy/util/__init__.py,sha256=K0KcvWk4uQ_wmzcagpHVLef5o3fafh9cokDUWzL8DKE,370
macer/externals/e3nn_legacy/util/test.py,sha256=Ke5hMdvYNZXJYuWOcu5IHZoSsLKOk8ajKrzDKhHfiNs,19025
macer/externals/e3nn_legacy/util/_context.py,sha256=d7ofJgc8ZtuMSsVRcL61OBEnfvQLOECBFkVj1Jk1uvY,696
macer/externals/e3nn_legacy/util/codegen/_mixin.py,sha256=_oa8mne5QEo9wLMDNs3kl0IvPpGhdfAAMyzVK6nF2Bw,4606
macer/externals/e3nn_legacy/util/codegen/__init__.py,sha256=tCkwzBlSoc8JH-FcQvV_Vc8JQbLTdet6hP8huTm2lXE,69
macer/externals/e3nn_legacy/o3/_spherical_harmonics.py,sha256=A4FxNTVAzqrmgm4ckjtaBpxDAfI7KTG3PReUvUDvSEY,32891
macer/externals/e3nn_legacy/o3/__init__.py,sha256=XZ0X8BruAyUA7jLBNIZdhj7cEKzO_mBQXhJdbPsvfMU,2660
macer/externals/e3nn_legacy/o3/_so3grid.py,sha256=hpLG8yzFcA07cEHc0AJB3QWdPP-V9bKYnWV70wqXpsc,2402
macer/externals/e3nn_legacy/o3/_irreps.py,sha256=XvjwbwL-5OSGPUUhLIfgmkaey-Up8_u3pvUBrVQYcn8,18000
macer/externals/e3nn_legacy/o3/_linear.py,sha256=8GocYvw3Ys98CuIM7QY9EdctW2NM9LRVp5VzYhKI6Tw,17750
macer/externals/e3nn_legacy/o3/_norm.py,sha256=r6wBeNlXiuWx42LNfgMnhcVwxqYbj6w_TaZwS_c4B5Q,1926
macer/externals/e3nn_legacy/o3/_reduce.py,sha256=e4CnwH0l7fjbRExsZl1c39yquAH1B9DYqsyast1O9Sg,11195
macer/externals/e3nn_legacy/o3/_angular_spherical_harmonics.py,sha256=4lfQRQPRaYC2BebWFqp0BcG3nKqXu_2c0JZuIh4Zo-k,5727
macer/externals/e3nn_legacy/o3/constants.pt,sha256=J5-x94RLK4XfCSVQv3hUpw_jtCezEmcvah4f7wp4aHY,4716580
macer/externals/e3nn_legacy/o3/_s2grid.py,sha256=8dYJCy5RRsLpmysv6yqal7WT1whdulD243fbuZ7MxGE,15578
macer/externals/e3nn_legacy/o3/_rotation.py,sha256=vgb07FlOr_rpJzQTiNCdgmMfnu2VVQTeATvv64o_WJA,16615
macer/externals/e3nn_legacy/o3/_wigner.py,sha256=qS9tOisQW1FETbSSQKoEQfljcdOQMhVgbHi-RzszxdU,6819
macer/externals/e3nn_legacy/o3/_tensor_product/_tensor_product.py,sha256=2e8i3dVZ-2VifFYkzOkgmqM5jLoyRDS-vwi8Bf-FYGI,29615
macer/externals/e3nn_legacy/o3/_tensor_product/_sub.py,sha256=ADM_OW6X5Hf9cwJVbeqc3cveTPZo1dzVooEHkjT5iK0,14321
macer/externals/e3nn_legacy/o3/_tensor_product/__init__.py,sha256=Bn_InEOKCLqt_Jw-8gTxMFYEheJrPuiZg-V4UwCyvpw,374
macer/externals/e3nn_legacy/o3/_tensor_product/_instruction.py,sha256=rap-2NiMOcmUGvbDDy52rBTZRDZHNVluppACwWIo51o,199
macer/externals/e3nn_legacy/o3/_tensor_product/_codegen.py,sha256=94OnLjSlAAht7x963obq6TIwi32hFxn1ZnaXXrN3Kpk,33056
macer/externals/e3nn_legacy/o3/irrep/__init__.py,sha256=tRHYyTD4RmQKCTsoSevCIo7TfduMIFgTwZyYkVd2kmU,1025
macer/externals/e3nn_legacy/io/_spherical_tensor.py,sha256=8KKzPl2bmU4ORPDJIO3yxoWuryj6J1VZstpy-pHMYDs,12706
macer/externals/e3nn_legacy/io/__init__.py,sha256=mqYvgYuENwm5XbEkTESla0TNqbH_zKANFOu7Zmaaq-I,156
macer/externals/e3nn_legacy/io/_cartesian_tensor.py,sha256=3r7_NBA3H_Yw2olKnkoQjiCprmMhyo7-x9bYSNDX5hI,3522
macer/externals/e3nn_legacy/math/_soft_unit_step.py,sha256=oTSr4Bf3PPnHpqekEmBL_P4LPDBTQZmRhm2v2wgSvvw,1170
macer/externals/e3nn_legacy/math/__init__.py,sha256=4q-B8KHEww_-tIekEdHtg46DcetV5SNwtq2PAH4ajJA,498
macer/externals/e3nn_legacy/math/_linalg.py,sha256=_LOvTZJDPV8l_-RAY7ki0bkLiXWnKGH4vZwfKSwRgZU,2524
macer/externals/e3nn_legacy/math/perm.py,sha256=w9v9YPkI6KU1p5_Fx1Aca0gldjMUngT4qbWD5YMcSts,3254
macer/externals/e3nn_legacy/math/_normalize_activation.py,sha256=R3wbhsMT9YiWigZXevgNJbnwlH_dNsB_9qg1WKH7TQo,1710
macer/externals/e3nn_legacy/math/_reduce.py,sha256=2d-grn-p92FedHifgvaDqCsvNNRHhVVdKuSWgkYiZh0,4040
macer/externals/e3nn_legacy/math/_soft_one_hot_linspace.py,sha256=uWTO-XoCj55VGztHKsdjnQ8UTMgWLnIF2UWRE_ArNVE,4498
macer/externals/torch_cluster_bundled/LICENSE,sha256=pWdh9gSaOX0_5aMVfEqrhZS_c2bnFNTu280nJ3k0RkI,1064
macer/externals/torch_cluster_bundled/__init__.py,sha256=-aSCbv2-oLzXpYQGfJsNZQRGSZ2BDthDw0nUSlrgpks,4108
macer/externals/spglib_bundled/_internal.py,sha256=catAWl5vzo5HZfcGrYdmQAZi47o9V_iuDP6V5VfLRWQ,12671
macer/externals/spglib_bundled/error.py,sha256=LrjI7NPH9uomY3IonHeshXLfj1Uk5GQR9WRwMNy_eYs,4689
macer/externals/spglib_bundled/LICENSE,sha256=en2FjJM174hnYyuCkewYcALkEqWaYFbTJu3O6ddM3Ds,1471
macer/externals/spglib_bundled/reduce.py,sha256=ROa08E_rb3e8Q1l0p5--Txw6s8IVEq6G99Xh2Efanmg,4526
macer/externals/spglib_bundled/cell.py,sha256=z_zcfIED7fIcjDHeLJrdZy39yCE7vvMWenFI8-vTBJ8,4845
macer/externals/spglib_bundled/__init__.py,sha256=FgSr8J5IID6UjGaps-qKvhL7sb_ltdPr4low84XCOl4,1311
macer/externals/spglib_bundled/_spglib.pyi,sha256=epG-wnAo-BHlxpRgv_t6Z1-LqShPfMuZ6w8BZU84oh4,5198
macer/externals/spglib_bundled/utils.py,sha256=uQEzIeE62p5W2njhP4quvb9NLitAoLbiK2mlXj60-0I,5333
macer/externals/spglib_bundled/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/spglib_bundled/kpoints.py,sha256=werJ_et6rjIZimrQzR8GrUbUfuEx0Ae9GnjMdLy8i-0,2727
macer/externals/spglib_bundled/spg.py,sha256=INIqeA7iwGwENLBJg2gdkp3eW_j_A99uJ4ehPXA8S4Q,21934
macer/externals/spglib_bundled/msg.py,sha256=pBOZEMTULIA8YVgEfZNlKW4emM60npJS8rl1dnvMb-U,15965
macer/externals/spglib_bundled/_compat/warnings.py,sha256=iIH-3X0IX-Vs0dlFJgRR055-xwdM121iQb_Ec0iGshA,201
macer/externals/spglib_bundled/_compat/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/spglib_bundled/_compat/typing.py,sha256=ng3-mwmnkEKGzYWi3R0nINPYBcBz61mVt-7NiymNXEs,159
macer/externals/spglib_bundled/_compat/importlib/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/spglib_bundled/_compat/importlib/resources.py,sha256=6xJFaIdA02r6nTCHBILGFH0Ji8s_B2PTCJdSCZ7FeOE,195
macer/externals/dynaphopy_bundled/generate_cell.py,sha256=VvC3V8udwEIA-ZY_vQKjz03tAg1hSq8V973kpfnUNlI,5238
macer/externals/dynaphopy_bundled/LICENSE,sha256=6VuNEwOiUTHNW76n-zzZCCyzmCcQu2OSgTOaZXFt9nI,1065
macer/externals/dynaphopy_bundled/__init__.py,sha256=t0H2-67YdzPUqEc_NR0ElE6XScyBfx7KIJ4XwRoOKQE,72477
macer/externals/dynaphopy_bundled/parameters.py,sha256=YatX9lRSBUtSbmiUq_bmTfK8tEkKTaxQS59fmTu-j_g,8981
macer/externals/dynaphopy_bundled/atoms.py,sha256=1Gxs7DQAC1wIquJWky1VAeuSw2QQQifHCe2wJtvUvEI,21158
macer/externals/dynaphopy_bundled/projection.py,sha256=Dw9kAFFTr1AQZWFRuPuAQjLZW1cE1ZivPes7nKfMJ7Q,2692
macer/externals/dynaphopy_bundled/dynamics.py,sha256=gZhcIwz3KEHZk7CI-MYX7El5dzFV6HHpKje387j5ptM,13699
macer/externals/dynaphopy_bundled/interface/phonopy_link.py,sha256=eVY3yBdhsqkhEJB4E_T0j23fd7U5w_ydJqJ1Jd1BbDY,15145
macer/externals/dynaphopy_bundled/interface/lammps_link.py,sha256=YBFBtm9FqwU3kGw6uCRLxEQ7kNoWPvdhCUrUO7ZJcuk,6103
macer/externals/dynaphopy_bundled/interface/__init__.py,sha256=USHnfvaF-QgOF--x1aAAJnDIWwrJ-m7Edu3MrpTRUEY,20
macer/externals/dynaphopy_bundled/interface/interactive_ui.py,sha256=yWTFe3Yfk8rcgkZg23SA5Q43SyaYHZPeh7md_Mx4dYE,15796
macer/externals/dynaphopy_bundled/interface/iofile/trajectory_parsers.py,sha256=TGLeTuHtCAA7Uh0yc-0m6tQGg-736yv9yXPS8TO8Tdw,16654
macer/externals/dynaphopy_bundled/interface/iofile/__init__.py,sha256=2ltkLjNMebPeden3CUagD5CLF1SBHwDu27EBylsqraw,31159
macer/externals/dynaphopy_bundled/analysis/thermal_properties.py,sha256=W2n6BLMifcAMm3BzEqNhvNSAwQATVb5CLyTqf9n6V3s,7253
macer/externals/dynaphopy_bundled/analysis/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/dynaphopy_bundled/analysis/modes.py,sha256=40wjmsrHXxTIK2iGyWPBslcrmq0pLbF9mN-_Ch0soW8,5846
macer/externals/dynaphopy_bundled/analysis/energy.py,sha256=iQuJwmcDOR_oqJ22fS-QO9FsMw9Tiq5OCl2GDhnJZW0,1544
macer/externals/dynaphopy_bundled/analysis/peaksearch.py,sha256=nPPlzfWIb2F7S18xPAG3v-F48BRQ01KkT9kgnQMymCs,783
macer/externals/dynaphopy_bundled/analysis/coordinates.py,sha256=BZ2arUGCDDSWvgUKBKN4klMJEkOAn9XVTqgEvQbnN-U,3453
macer/externals/dynaphopy_bundled/analysis/fitting/fitting_functions.py,sha256=C-aoaM8BNybWDsPVb32SaqYwFWmALX4FRILPkNQL-6c,13432
macer/externals/dynaphopy_bundled/analysis/fitting/__init__.py,sha256=JlxsX76pD1qVyZF5_m0izGpl0Fz92f_4VCZSHiyzNf4,7629
macer/externals/dynaphopy_bundled/power_spectrum/__init__.py,sha256=9i8fs6hLx27K3yZ8lao2IHcQboF51nM8xIc7Y_izmY4,15620
macer/externals/dynaphopy_bundled/c/displacements.c,sha256=pWmixEiNtjSHXw-bPKNdjpdcGrML6dlrd7l9weGrIzo,9873
macer/externals/dynaphopy_bundled/c/correlation.c,sha256=NgkJ1QLqLJ6YTRTf563kjFM6aCd58QgGXJ6um4gNi0M,4958
macer/externals/dynaphopy_bundled/c/mem.c,sha256=W5Y1lNPCKxa9oif7ilwxzHfvP6E4WiYbzwMpp4dsR8k,7362
macer/externals/dynaphopy_bundled/c/__init__.py,sha256=4SYzOpBkyBn9n8SP07nVJgJ3AClO4DegRKoxIdy3ocA,28
macer/externals/dynaphopy_bundled/c/correlation.cpython-311-darwin.so,sha256=waHtjnZ03rfgv9r9fV5bIPbVKWyDNWAlVoBXORtPgjM,51888
macer/externals/dynaphopy_bundled/c/mem.cpython-311-darwin.so,sha256=CTvmaHSDjPJIxiiSamNmHfl8U6oMQB1i_KNOwY2Tmz4,53224
macer/externals/dynaphopy_bundled/c/displacements.cpython-311-darwin.so,sha256=JcQspFEjbNPXsakrRGjfQSraoT1T-hxnBH1yDL8uYEo,52112
macer/externals/torch_scatter_bundled/LICENSE,sha256=pWdh9gSaOX0_5aMVfEqrhZS_c2bnFNTu280nJ3k0RkI,1064
macer/externals/torch_scatter_bundled/__init__.py,sha256=r7ZEE-VUcVQhgiPUXDrahApZ2Xgl0w9r0iVRysB6h8w,3756
macer/externals/mace_bundled/LICENSE,sha256=5PsG9icdbQJmbv4BDvYEkC7mWfVH2CxZf5lvwu7hxVY,1101
macer/externals/mace_bundled/__init__.py,sha256=5VLBFrfSxlP5iwH1xP1ZmZfxn2aaMrxr8WOW3Z95Nls,102
macer/externals/mace_bundled/__version__.py,sha256=WIvSQPEzdUqeHTn-NiYNt_If7N7lObgfsByr7OiaRaY,50
macer/externals/mace_bundled/py.typed,sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs,1
macer/externals/mace_bundled/tools/finetuning_utils.py,sha256=KlxVC6xfzbq3IXib6_C7U-h3z2paHfiMx_AFXNX68Ds,8110
macer/externals/mace_bundled/tools/multihead_tools.py,sha256=oEmo1V0uSb0cDEzUNH4qIxVeJO4EzNMYvSy53yawonw,16425
macer/externals/mace_bundled/tools/cg.py,sha256=eTMcSXc58itbmy-MpSPCkIISAod0WxsfHiHsFeWf-RU,9434
macer/externals/mace_bundled/tools/torch_tools.py,sha256=UiEwpb15NnBHJvuglFTqKDUVQPxyDB-AunGdCr2IEQs,4802
macer/externals/mace_bundled/tools/checkpoint.py,sha256=gmQfU_Ii0jM_W9AjMj0rB3sinW_i5rrJhtJsX7sZ3AA,7394
macer/externals/mace_bundled/tools/default_keys.py,sha256=oza6j5uvGPrk29z0AurmaLwieWSLSP3FPgr7CPCmZ5s,624
macer/externals/mace_bundled/tools/slurm_distributed.py,sha256=oNospiE_LDbcqunkNBFnUaiUtuHXNdNMCTeYK2lQHls,2201
macer/externals/mace_bundled/tools/cg_cueq_tools.py,sha256=0MVo49T0kHCgKUuu_w8BVonrtMYkg5GuAajqzNvNEZk,6427
macer/externals/mace_bundled/tools/__init__.py,sha256=PgHAA8vxtoYk_jTDFzEryi5UNXch_7HKYzMLm04A09c,1729
macer/externals/mace_bundled/tools/run_train_utils.py,sha256=lbPZ29oOjB4_tj8j0HYY60hpKOn9aOCl9r08TIgSSis,6924
macer/externals/mace_bundled/tools/distributed_tools.py,sha256=RnWbXUevk6hRZkbOlhDDrSt2_ZgX3l_FeiVgBhk9KqI,2202
macer/externals/mace_bundled/tools/arg_parser.py,sha256=7iMkcTxXIW0fZgPlFG1_e5i2qXokLSlVPLSsyZahP_o,33141
macer/externals/mace_bundled/tools/utils.py,sha256=XGf_SevK2TCC5qqfCOSjjWJK1HAxCCAqI6Pau2GknfA,6281
macer/externals/mace_bundled/tools/scatter.py,sha256=On6asb8NoO51WOingzpMJ9A8dsMkYJ2BGVr2Iqtg_bQ,3260
macer/externals/mace_bundled/tools/compile.py,sha256=DyTMXAOSkKZZRUtFSAwP9aPxw5YLlRNFQt6ds7NAJXc,2774
macer/externals/mace_bundled/tools/tables_utils.py,sha256=wk0T3F0fz4Lp-qmWeDSJ8AQrOlWogfESpa4GZ4iom8U,8477
macer/externals/mace_bundled/tools/scripts_utils.py,sha256=34YlMw-JxBQ9ZcqVioq63ZesSlkp2PXiRFhzd_MYP3w,38389
macer/externals/mace_bundled/tools/model_script_utils.py,sha256=DlxaCQJJyHWisDulmAQSCPR7CFUO7k9u1hdRPpSz9LY,14715
macer/externals/mace_bundled/tools/train.py,sha256=GjBhRAquoPOcbFmRxBzKbTH_JedLGujrQJLnDMtlsno,28972
macer/externals/mace_bundled/tools/arg_parser_tools.py,sha256=pjlI9MwOTlX2JjQgYxMbMbWW6h6dX6H5fhCBeS7Nhuc,4809
macer/externals/mace_bundled/tools/fairchem_dataset/__init__.py,sha256=_2oHV75xckQ-Nz0-E2TIbwA7oOGeRto7ScSlDUDg15k,73
macer/externals/mace_bundled/tools/fairchem_dataset/lmdb_dataset_tools.py,sha256=QpZLHNoCSpAAWFEsOVIdEA0AHt0ytfkNktTDGwQbLOw,35852
macer/externals/mace_bundled/tools/torch_geometric/batch.py,sha256=m0bh9IudbYnWxgpPKjBiWrYo9_NwA4owDYP1cIqcW48,9903
macer/externals/mace_bundled/tools/torch_geometric/__init__.py,sha256=RM0xFUly2XnxIIfCgSihQSV2a2WozTE460WfT2DKMTE,219
macer/externals/mace_bundled/tools/torch_geometric/dataset.py,sha256=Wgfph7Mjcmnq5Mm1kaO6murtmyzHxego4d357AUY3QU,9957
macer/externals/mace_bundled/tools/torch_geometric/seed.py,sha256=NdPzhRDfAD-p122jnzQOGceJ1SJ8GTs_FANf4sNrK78,354
macer/externals/mace_bundled/tools/torch_geometric/utils.py,sha256=eyw_Upd3-vE0a8z77di43svKnwyFYXcsa-BjCp5vpyY,1313
macer/externals/mace_bundled/tools/torch_geometric/dataloader.py,sha256=VynSC32RAbum5vubXX0r4nYSokc9CauyrnkpDoZrgSk,3102
macer/externals/mace_bundled/tools/torch_geometric/data.py,sha256=OqdydStZ_c3maKUKWlY9hCSq01jm8Vufv_9gVf58bSE,16569
macer/externals/mace_bundled/cli/preprocess_data.py,sha256=M5UH3z0u0KbK45sw9lmpJufjwoGx8bnw1VwTm8Qx_tI,10218
macer/externals/mace_bundled/cli/visualise_train.py,sha256=B8JY5JpsDMNoqbWX7O7TcPz2zR8E75bxbN8TI_0MLD4,28732
macer/externals/mace_bundled/cli/eval_configs.py,sha256=D5Zc5avLnePNY2BSyAJzZLqoT93-dPIuPyWrIpQGVPk,11498
macer/externals/mace_bundled/cli/convert_cueq_e3nn.py,sha256=PQEoZMtb73_G_tPPBhaG29pi2h57O-BxjjSEkR35ZMU,8514
macer/externals/mace_bundled/cli/run_train.py,sha256=zu3X314RIOf2aEizhO3fSapQAK4EldWgUoNQ3qz9p-c,46274
macer/externals/mace_bundled/cli/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/mace_bundled/cli/convert_oeq_e3nn.py,sha256=g_dHoiua8ixs-WSzefYHqt8JUgKRhc4fnD0SsGj43_k,2214
macer/externals/mace_bundled/cli/convert_e3nn_oeq.py,sha256=xeVmDoSreFdtO2uj8bw_Z1VRm_SdLkGzkiwxaE5HKXM,2474
macer/externals/mace_bundled/cli/active_learning_md.py,sha256=G5gtQt24amtMDoOOmwsTbGphmg4WJNdHi6bMQeiO1zk,6023
macer/externals/mace_bundled/cli/create_lammps_model.py,sha256=nQT3iJgbo2qKxnkOa_8WZXzuNhpSU_DhaKugx_ptV5k,3409
macer/externals/mace_bundled/cli/plot_train.py,sha256=jiZRsyhYCuzXIgmYooxXGFXlRcNc-qmDbpJMZFKr_zI,9583
macer/externals/mace_bundled/cli/fine_tuning_select.py,sha256=ApSmCRjzG42kSF0B5fASf5mqAFW2SHqR0nRYA_aCgsE,18108
macer/externals/mace_bundled/cli/convert_e3nn_cueq.py,sha256=MzmDzKuobyCP9DvbZh2G9dVTiPctug9EfH5IPM7D6to,8207
macer/externals/mace_bundled/cli/select_head.py,sha256=xywHE65qDunYexUbjBCnJ0NYBfOFyu0ENwPMz79Upyk,1726
macer/externals/mace_bundled/cli/convert_device.py,sha256=q4JPDnHhxVTKaTR9ArtQvNNrSWsdM9XlacfC6UalgTA,774
macer/externals/mace_bundled/calculators/foundations_models.py,sha256=NtQEZ6wlrdjK7EJztEpi6EgomrWnoPuszfFq8CnKqow,17869
macer/externals/mace_bundled/calculators/lammps_mace.py,sha256=ZzpUoCWmuAjGFiWBhJ3Z5uHDpg8sCEFMx0l231ruFgc,3722
macer/externals/mace_bundled/calculators/__init__.py,sha256=CgODmQJjKp5mjjh7D5NcSq1uZh3rPW1coZxEJBCWM70,248
macer/externals/mace_bundled/calculators/mace.py,sha256=Eo0aa2Y9mwNWsfzPWW5R6nc71bP-9CPw0-781UBl0FE,30423
macer/externals/mace_bundled/calculators/lammps_mliap_mace.py,sha256=d-vnR_zK10iTncY35C96aQcIQ2lR_bWQcbETgkXRfIY,7278
macer/externals/mace_bundled/modules/symmetric_contraction.py,sha256=BoQu63lYn7SLi-yukE76rs0SyETxOjbpZMU9K6e28pE,10366
macer/externals/mace_bundled/modules/wrapper_ops.py,sha256=MjM5cYh2S1ftfrqUuW8h-zN7YB-u28E9ATwHQfrbcUk,10716
macer/externals/mace_bundled/modules/models.py,sha256=C9ZfAbcaf3O2Q8_ztgu89NwZ45bM_-9xemRGoXG4yxc,55740
macer/externals/mace_bundled/modules/irreps_tools.py,sha256=3qd8Ye2DF0kwqsVTy3cq67Td6L4EbjZk-0VRBFynVW4,4277
macer/externals/mace_bundled/modules/radial.py,sha256=8T0nawufU0imiTjg5B_8U2Eo4KrOL7Ir4dC72nBpgSA,12606
macer/externals/mace_bundled/modules/__init__.py,sha256=5873vqZI_2mBmlbsCfAwdUyYODKof_k2YQ-ciQ5aBuo,4007
macer/externals/mace_bundled/modules/extensions.py,sha256=Css16FrN5GG3Dxc9DWqD62aExoTOSqL30Og1p04XrVc,10320
macer/externals/mace_bundled/modules/loss.py,sha256=Z5K1PbyBA5eMZIz_VrXZz755yIyBKzbUQLc1BveZqPc,23062
macer/externals/mace_bundled/modules/embeddings.py,sha256=g99zCjoVZxu6C7J7oampdnOFV62T_m62AuA9JRBEciM,2469
macer/externals/mace_bundled/modules/utils.py,sha256=Fuf9qn3gIKrVEeLuHmo4xmswWFXHIaJIWHhLP39Bs58,21420
macer/externals/mace_bundled/modules/blocks.py,sha256=oxEjoUlTYvldWcb42_BJVHrvhAxcMnax0qB8L-d70pM,46821
macer/externals/mace_bundled/data/hdf5_dataset.py,sha256=6P8YoxJd2L2M2n1MhmNPgiSoyaTcrn7lDEDm6x7xg_0,3396
macer/externals/mace_bundled/data/atomic_data.py,sha256=pLU2PJGAhpKWBako2_Oxw7ULQ5ZS8_6qNlUf9ctzMEA,13823
macer/externals/mace_bundled/data/__init__.py,sha256=g2gQc_yHcWvIyjQ7N4h-_KEwvjnfPhT0WzRqbrKgHh0,1017
macer/externals/mace_bundled/data/neighborhood.py,sha256=MQr2PAxbj18i3ZMRB97m6riy73n70-snyQHUXQHfsbQ,2370
macer/externals/mace_bundled/data/utils.py,sha256=vdcnRMMbaSf7nYuLpfxNVMsl61lhxfT35UHgU0KajNM,15956
macer/externals/mace_bundled/data/lmdb_dataset.py,sha256=b5Zx66rgPl1XgYwajn4RxDFe6x33tNQRQw2JzOhcEng,2608
macer/externals/seekpath_bundled/LICENSE,sha256=UnUQ14R_xZurH6PsmVqFZyiecp_V3-Ja9Ao6kMwXJ_4,1066
macer/externals/seekpath_bundled/util.py,sha256=6ETUPKX7XJrmRqSnNFUNgEOo_qo_KWMiSQU7a7X5WaE,1645
macer/externals/seekpath_bundled/getpaths.py,sha256=Ldw1tc-Ct2RQaEd55X0Q2UHtcW92z0Xza9x55bCg60k,26293
macer/externals/seekpath_bundled/__init__.py,sha256=_pbJWuLItYaQSmaAb9B6VGOn3_XaMBMECb64U_toXFg,1714
macer/externals/seekpath_bundled/hpkot/spg_mapping.py,sha256=YoOn34xpStd2u4cGzJ56Q0AKuocydyEYjTBdNI3i-zM,11426
macer/externals/seekpath_bundled/hpkot/tools.py,sha256=c6dQWP3dWffvdOYPhtWDfkcTqsTnMhrKQfpaL0cONr4,13992
macer/externals/seekpath_bundled/hpkot/__init__.py,sha256=P5vnAnRtMh_tmipDyKay9B6x9TR0wY5gwUoWrCtJW0g,21264
macer/externals/seekpath_bundled/hpkot/spg_db.py,sha256=TYe17gtYMNeTX4Yx50T3RK1iNUbOmvK6B0HlqgpVD9o,9666
macer/externals/seekpath_bundled/brillouinzone/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/externals/seekpath_bundled/brillouinzone/brillouinzone.py,sha256=fFoFEzItoIrMSDBugvXMAPZVZF2JtVCCcBFUUrCMwWM,16410
macer/utils/evaluation.py,sha256=U7OO0SNSOpG6vtlPoXYtjgj9RAF5_Y_VuLTahUvj6pg,5951
macer/utils/struct_tools.py,sha256=l0AUPUQMo-rf1ZzYBLd2KUyhJopW8ZqGCCLtlCQG3C0,7439
macer/utils/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/utils/model_manager.py,sha256=Tq8gSfuwa41G5K_Lgw8FUGsbagqajS6JrKKLaj2cdMk,16549
macer/utils/logger.py,sha256=KkGkKQQ9oJIb-PtOXoJ89GJViCsGkbfmyT5S7gRYVqA,648
macer/utils/dataset_tools.py,sha256=CM6h4-dtuJYmuR8OiDg59Gw24A82sZ7rFjCvZYVEaYg,6168
macer/utils/finetuning_mattersim.py,sha256=2hrZTN43SYollQQtORodh5w4lxeEp5OmcBIugo34wJo,9586
macer/utils/viz_tools.py,sha256=EpPnnihUT442q8L_D_AH68F-ycHt9Vj3Xz0Nx4-SmdM,76314
macer/utils/training_mace.py,sha256=_dTsuIYNuCvroaIKZ0pAyIPYJ8M0mpicJRVRiA20_14,3974
macer/utils/md_tools.py,sha256=zqzTd9W8U2BQKU21Dp5pQmJyNpBHxxUHSSO8tXeWr88,25318
macer/utils/model_tools.py,sha256=BwgCCjTZteQSzEUcjDzimWrLUzUxTO4qRaXLi1inXGc,9254
macer/utils/fix_dynaphopy.py,sha256=zNzXKU4venmfF-Hik9_2fNihJp_b2ZfJF41iWahdZZg,3421
macer/utils/validation.py,sha256=AJR5RF9bQVzJmFFFZR10vr38DyjkrVhR-tfgQOaEEws,1841
macer/cli/util.py,sha256=v_eDtRFf0A0M6T5BISRkKclW5TpivHETP21WfqsVh0U,24464
macer/cli/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/cli/interactive.py,sha256=S5iLw5kTXNQYgv-xhAPtyI-UCeOtSViQ-gQunaJqytY,96802
macer/cli/pydefect_main.py,sha256=jAg8NQVB4d9rZvkh5sqr8IKktxbC_-OIfw2t31FzeV4,14717
macer/cli/main.py,sha256=GfGL3IjEDMsgD1BDjKNMybg0qsWj8MWsKIYvfosFWb4,34084
macer/cli/util_main.py,sha256=pZjqczUO-b22WjqJnDC9i79xn2AMoiu4dEHkRhdKW58,78256
macer/cli/phonopy_main.py,sha256=D8EOh8NOUG_dtAPPvbw2jKeO5UlEk9osDTasvWp-xUM,27838
macer/pydefect/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/pydefect/defect.py,sha256=ek3-9b0xMiYNTBBMYzkTY8zaT-6tlmEgyMLu7SVMA0g,10077
macer/pydefect/full.py,sha256=jL336vh2OdMruTVk_okxYc-eBHRJ7S0pjWz93Ir_TBs,23227
macer/pydefect/utils.py,sha256=nkgXwfxFVEbN7kSzctZITGYy5W1KPn7xzsD0Enim4e4,54389
macer/pydefect/cpd.py,sha256=p8KyOnZ507Mo9uDxYKboh3sdZJZvNpQtOI9ZLbRU9UA,16083
macer/relaxation/isif.py,sha256=cK4nSHEEtVIvcmxWrTvU9hJmXu3beDZ1YzQcSY8Dc7U,2578
macer/relaxation/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/relaxation/optimizer.py,sha256=OmuKUAkCBrXDDGNLzmDJi-lpPyjwzj7gBnTXELLxMmo,8769
macer/relaxation/bulk_modulus.py,sha256=iI4i5Vqomz9opCsEzGHcemFp0eWTHlipVyR6tnO_5Sg,7312
macer/molecular_dynamics/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
macer/molecular_dynamics/gibbs.py,sha256=2J2cYoVySOL6l6BpSL0do0yBzbV221IaNVCTM41oLrY,26885
macer/molecular_dynamics/cli.py,sha256=WmQ2eYIlCLWDgb4FFMs887AS4AOBKHow7gOVbRkePEY,44192
scripts/visualize_gruneisen_bz.py,sha256=vGMwnpLybI3Yxvmr_GlonQ2emGehw5q8lvAUIBKq8mw,11687
scripts/write-arrow_phonopy.py,sha256=EsmvxYi178kzesjjE8QxFNEEiThHaUTTSM9O82selWA,10055
scripts/seekpath2bandconf.py,sha256=jQakrtvEN6as-E09I1gvZbuxec0qijUtWFsMDq6euOk,12688
scripts/print-gruneisen-hdf5.py,sha256=vbAGWUVaEqLn-eSHizSPa19WZBHOwW1u66CYeQtyt-o,2216
scripts/write-arrow-vesta.sh,sha256=39pP3koFRUw2pPYw6-UMXBwRmIj-Smv-gSrOM7_1zL4,11597
scripts/install_hpc_cuda.sh,sha256=rd2KLh4hSl38ZLnQDGFkdj8BY7D2AURqvNO9VqqPkDo,370
scripts/run_mace_ase_relax.py,sha256=LYFzjqsCfZYhatqeXoYENMDnGqyMVUUvj0qAUVks-XQ,22884
scripts/run_macer_qha-script.py,sha256=wIncEA2i8cPxy2whYP2kqJccGljFHv_v0J8_2p614Oc,17654
scripts/run_macer_phonopy-script.py,sha256=Za9n1y-JFA0AnJeZkdA_r7vRm66xatn5JECpkHe5ki0,10479
scripts/average_Gruneisen_Brillouin_zone.py,sha256=89Zsi251wEpXrF8m5ED2yB5aPUD5ajqpCdohhr3EBCM,9984
scripts/brillouin_zone_plot.py,sha256=5tdci9CcKj-ZRq5d0vIuTUvYB_lnm5yF5JDaXCd-UnA,10310
scripts/pydefect/run_auto_defect.py,sha256=g8OjEux7oCEYMB25EVtqdp0vDZZ6KrvJa5XSXGsjvAo,11260
scripts/pydefect/run_auto_cpd.py,sha256=XQii3Ig6V_Z0FFeD82_uIV8iJvaz5TNstbj5qBJeqfc,12308
scripts/pydefect/run_auto_defect-full.py,sha256=U9ycW6frVGOuJgi8Rw5BJrfpqZqyn_RRHaBaMkd94Sk,17960
scripts/md/calculate_conductivity.py,sha256=myCY7_S06cd1S_s5Yqt9PIaAIIQibKM6ev24rj6a4dY,13179
scripts/md/mace_ase_md.py,sha256=IownlD3BQ4RzN_Zu9Yq_CCkTgTVHhkgcpzzbfy2_iZk,10195
macer-0.2.7.dist-info/RECORD,,
macer-0.2.7.dist-info/WHEEL,sha256=jADsrakn5wOlqaB_w-xLPiIcihZiWRqCgK6rQyCSNj0,136
macer-0.2.7.dist-info/entry_points.txt,sha256=nSY0uerJtXgXifvCy3RNl0upk_otDEL3pgP-BqzuN5U,174
macer-0.2.7.dist-info/top_level.txt,sha256=1TPjsR2Ed_56Dl6IKLqW-kfcw985n6G6jUsPcdZXIis,14
macer-0.2.7.dist-info/METADATA,sha256=-Jb1fXW4uBhEk8WvXaTHcQ4iB9yObr2L0TKgWI9NOIQ,39086
macer-0.2.7.dist-info/licenses/LICENSE,sha256=nfAZeax8YKBqf8gIqgQLv2ynG9g5kwu6ST7Spcg2248,1069
