GalvCalc/__init__.py,sha256=KBxVhdSYrZw7PV8whXqLF5xPUVJnw9-7QbFv7R8Zf44,1271
GalvCalc/cli.py,sha256=tkfm7kIeSU-Ice4M3tohD4rz8flOhlqi3rdRd0qdRTU,1514
GalvCalc/anode/__init__.py,sha256=8mI_eNqlcLgBNFS0yqtdssM3sHBuzE40FXmv8u485J4,150
GalvCalc/anode/doping.py,sha256=OKpAnB7IjgN8Ssp_dLCrLyrNoiT7RJizJoceJ-OKJA8,26815
GalvCalc/assets/logo.png,sha256=6q0SciBNJkyDkl6zPCWxLkAAqF3hK7zCLKVEPUC5sSo,109693
GalvCalc/assets/logo_flat.png,sha256=nfMnDVWcsMpemDKdQ1x7UArSFulomiPtRuoUhKAgE6o,98348
GalvCalc/cathode/__init__.py,sha256=VBKwpsqeI8R66yDmBC0Ci5Xvi_CVDlHOfYcBipVlc4o,248
GalvCalc/cathode/estimate_ic0.py,sha256=8arViI2TRBfo3DuTMXl9p4lLD8dY18Uw5ze12d7EsQM,22584
GalvCalc/cathode/hydrogen.py,sha256=nt1SS6mkKdekHp7eEJOSTTWCmjc0zBfGfEKUCi1lYyI,40936
GalvCalc/cathode/surfaces.py,sha256=MXcRI72xEEMhalUZItvbaAuc7eC_3-MHJdZda5yxrXk,24995
GalvCalc/core/__init__.py,sha256=s9rrI6wFxhpAYCKr0vACm65gki4VEDFpjt8x4uzSOqQ,152
GalvCalc/core/ion_energy.yaml,sha256=XsSdMMOtXElCahKVVvcn3qATQC8HrmrVtdQoGe2WAX0,49042
GalvCalc/core/structures.py,sha256=sx6AVonP0NlXY7cB6S5Scrtt5kwFXgjgvFQ7QjjYnZ4,23503
GalvCalc/core/utils.py,sha256=scUw6bJOr5r3o8ck4dFm2MvyX6aHlw37HzJzQh7HknQ,6845
GalvCalc/examples/Mg.poscar,sha256=is9KtW412lSyFScaPE_GSeQChmCgBQNPZkJ-Odl9knE,360
GalvCalc/examples/Mg17Al12.poscar,sha256=9YRqFWBIGTD54eq0VF-ylY4M4oY6Xzpz-OLtcq3_uhU,4233
GalvCalc/examples/Mg2Ge.vasp,sha256=qp1NWKIsxlArIC6ihuYBwenS03SvxgIP17YPlA4JfaI,1079
GalvCalc/examples/Mg2Si.poscar,sha256=Jo46E9ScSAeRDF_93XOZnDdoBc_4R2BhvlgaitRZHcc,1079
GalvCalc/examples/MgZn2.poscar,sha256=PfsBla8f5bsEns6QJ3sIOZGNe16dRz-KDEga2WZak4U,1055
GalvCalc/examples/adsorption_analysis.csv,sha256=jTv2YvBMiUJGGvC-Ds9DH8cXvRRXkE3GryNVZl_j_jw,17535
GalvCalc/examples/galvcalc_demo.ipynb,sha256=YnYZv7OJN_rEs-oetjE4DFOpcAagggRVjTd3KWfa_Fo,33256
GalvCalc/examples/demo_output/adsorption_sites_111.png,sha256=9I0JbFqCvs8hbDdjIjUIcrELtTHry-vaB9B_iFLZR90,221973
GalvCalc/examples/demo_output/area_ratio_optimization.png,sha256=1ZmKak90HPErA1Y9VL_J_4-zJ4BczL4glrkqXFUm_Qw,96911
GalvCalc/examples/demo_output/content_scan.png,sha256=h0E21Eg4e3Z6XVNL6JrahUx2SQOCuwHHsR_-Mre7oxA,72962
GalvCalc/examples/demo_output/polarization_comparison.png,sha256=xOo2UkAwTAcf3WU3bOLUd42q6ky0y7yeuJo-p6lK2vw,224345
GalvCalc/examples/demo_output/polarization_mg_phases.png,sha256=2Tea5F1omkvx7StMr4OybzbeTo7TF7rJ7STVgEre3qY,496526
GalvCalc/examples/demo_output/polarization_multi_anode.png,sha256=1MIRVuTQg-X4itgXTbOO9TU8gsMjn0UJl8lBIjctYKg,142529
GalvCalc/examples/demo_output/polarization_single.png,sha256=sLsRmeZRfninpK92njXI6NZstHxic8q5A1oiDzXV8Es,119795
GalvCalc/examples/demo_output/wulff_Mg2Si.png,sha256=APHfINftdo_OedO4j31Oe5fgoM2I74Qh3GNZaBvijYM,125298
GalvCalc/examples/surface/CaMg2_111_4.vasp,sha256=n_EDGRA0shbFLxJI4ogz0bkniS6Ua0Vs2gUM32_dZvs,7170
GalvCalc/examples/surface/CeMg12_101_1.vasp,sha256=l3IUBC9mR3Y-UuDhAxOZEu9NRbuj2pPKHrPhuQfudQ0,2112
GalvCalc/examples/surface/LaMg12_001_2.vasp,sha256=n-SfB0UKF2EB1SqPlQKn16q8pYVOgaKnCouprCqP_no,4297
GalvCalc/examples/surface/Mg17Al12_111_2.vasp,sha256=4ZWCYDrUIpuuR7Ejkc6tbHgc4r47vRAkkZy3Jcb7084,9711
GalvCalc/examples/surface/Mg2Al3_001_5.vasp,sha256=VkS2-UB7yAPNhu3Fq6671jkAufr12YOM4ZSp_FmC7no,2577
GalvCalc/examples/surface/Mg2Si_110_1.vasp,sha256=tU9PkKByrcW0sSr-O3KFkfxu53uUYmpu_p1p9bsJ464,5280
GalvCalc/examples/surface/MgZn2_111_4.vasp,sha256=roWz6vjXdjh7UWbrRBrhEiU4onwuB90vEH2nspFfq60,9480
GalvCalc/examples/surface/Mg_001_1.vasp,sha256=tZY-rwPQVMLETUD-6XWzDe7F9JGgUgdove55-wofQKM,507
GalvCalc/examples/surface/NdMg3_110_1.vasp,sha256=o2FB8fn8u8eN8DFwN_9i58fbb_gmD-qa8dVy2u69gAo,5840
GalvCalc/examples/surface/Y5Mg24_100_1.vasp,sha256=8FdqnIBmJVUs1KLrExBw3bZo0qk-CegAw5iXFWDofuA,21550
GalvCalc/polarization/__init__.py,sha256=ideYD7LybGtgTBJdtSrzj9-Tmp94QtFrtRfW2sD60uE,748
GalvCalc/polarization/area_ratio.py,sha256=83tAWIh4U_I49gAKMuO-no5zjnSSmaPD7Le6VUs59HY,14637
GalvCalc/polarization/content_scan.py,sha256=EcpyiuEFLajd1_ZEI2_7Ud8d5Xwxz3-Vi1pElkuqm1E,14783
GalvCalc/polarization/curve_plot.py,sha256=qC1L4kE1U2JR1wvtk7RkvLx49xeV_qTrYntAnO4bois,45580
GalvCalc/predictor/__init__.py,sha256=VYdPq8-WOsI68P3_s5A6HDcw5ztzo9jFT5RDIZh52P0,1027
GalvCalc/predictor/Eads/__init__.py,sha256=9X02OV4fcXP2GtXIi_3RXINa72xzgjCi5z5g2dxW1Zc,72
GalvCalc/predictor/Eads/data/README.md,sha256=frcCV1k9oG9oKj3dpUqdJg1PxRT2RSN_XKdLCPjaYaY,2
GalvCalc/predictor/Eads/data/periodic_table.json,sha256=s2fIBv7HF_ryRtIqs3sL1LtL5rVWIMNI8lBZYNGBOHU,4165
GalvCalc/predictor/Eads/data/periodic_table_complex.json,sha256=6p85mFUgIuvG82bH6b2jFFhllvGrp_Ssl7d121OqGvk,241353
GalvCalc/predictor/Eads/data/trainset_loop7.xlsx,sha256=atUNKC2JjcTdovI-lniknPdCp7eqrG35j0IhEoqNTqs,265120
GalvCalc/predictor/Eads/data/uoe.json,sha256=WwHSPwyTJkbuOvA7pJTa58qv8yd2oYsuv6KSUZu-4No,912
GalvCalc/predictor/Eads/data/wf.json,sha256=UUM9OMeCljsfJd3m8cl81CMBtUa1PVupd41OSTWAAwo,1839
GalvCalc/predictor/Eads/utils/ActiveLearningPred.py,sha256=_I8otvC7JckdD5d__NQF52NMOvaNkVE2LzsfJClHC1E,12289
GalvCalc/predictor/Eads/utils/__init__.py,sha256=qcWxOjaQhCK3GLuN-qM9DpKWwKMQHNdzJoomvhEFZzU,66
GalvCalc/predictor/Eads/utils/saved_model.pkl,sha256=gqTCH9xknDL_pFJLgaxoDN0mGbGxjiB0BhOmV9enoQo,2189292
GalvCalc/predictor/Eads/utils/structure.py,sha256=-uZQyJKP6Myex__pj8ComksXriRN2kYXDLsoqDgX7yI,1261
GalvCalc/predictor/surface_properties/__init__.py,sha256=PHxBcKcS9Igww1N0tWhdAfVDn5giKtqPCbGYAteKf54,61
GalvCalc/predictor/surface_properties/atom_init.json,sha256=y5C9Ilfb-M_E5rK21DSNRhbo6WgPEzmxRhE3Ay4PGJQ,28392
GalvCalc/predictor/surface_properties/predict_surf.py,sha256=OFoxVRdyyi4FPjUhAArjnYTvqzLJgF6m-dCjlXwrtEo,13110
GalvCalc/predictor/surface_properties/cgcnn/__init__.py,sha256=PZSmHCaWDZHzQPjOU657VpVffTL8FDdG0cnlIN5AO_k,55
GalvCalc/predictor/surface_properties/cgcnn/data.py,sha256=PCwfabNcd_MZfu_KejOOa0tFcE34_O00C01yCM2yY4I,17820
GalvCalc/predictor/surface_properties/cgcnn/model.py,sha256=X_RJ8ndm5UQKoebeYm-BDduW52d0_hWNK2Erh3TTXiQ,7444
GalvCalc/predictor/surface_properties/models/__init__.py,sha256=8FsX3UBiG74joqCYwF6ZYcznZzgwfxWwfCZ_euy6zuQ,40
GalvCalc/predictor/surface_properties/models/model_best.pth.tar,sha256=gJQeJCekc97bRbrwa_LX5OSEJIvVpXTdw1VpyJI45c0,1203316
galvcalc-1.0.0.dist-info/licenses/LICENSE,sha256=DEeaEj993CkZKXBP0SY3w7x4UVuVklbEo1LY60iVktw,1089
galvcalc-1.0.0.dist-info/METADATA,sha256=MkIUPa1Qg0tajZ6-ifwutK-skLwd6U6S1i3pZ96bnaA,11161
galvcalc-1.0.0.dist-info/WHEEL,sha256=aeYiig01lYGDzBgS8HxWXOg3uV61G9ijOsup-k9o1sk,91
galvcalc-1.0.0.dist-info/entry_points.txt,sha256=xEC7lov8-hv7842fFjtsPmJ3JBT1f327q3RTypWx2O0,47
galvcalc-1.0.0.dist-info/top_level.txt,sha256=XGCOxrq7GwqdHL7hfIK8Hif8E-devLGiKIEkBJ6FJ20,9
galvcalc-1.0.0.dist-info/RECORD,,
