Path |
Digest |
Size |
smact/__init__.py |
sha256=OOVNoQc4pas_rDzf_PvApRPu0pMh82ipllDzJjzUMBQ
|
21125 |
smact/builder.py |
sha256=lx_fWSL9YJ088vXnekv5NCi6jzHG1W1xbS0FCfwlSAU
|
2781 |
smact/data_loader.py |
sha256=4qh2XDVfoMIl86Ii9hpToZ3EqTHZGaMilQiVbw6A2jI
|
31401 |
smact/distorter.py |
sha256=VED96Nm0GIMOfeEtPE9-pEcq9er9MX72CdCmcgr2y7g
|
3832 |
smact/lattice.py |
sha256=B0b-EeBR10fubllZWvNnBLfZfDAbEWJZ2wsfsSTkFII
|
1882 |
smact/lattice_parameters.py |
sha256=FpHd82LuYyfRVrm57OTAIsfKAcetW8s55f8VVD9jf8s
|
7988 |
smact/mainpage.py |
sha256=F4xmgvhcs0nFhGOi9Rcev8GkBY8F7oaT81fZQpL3520
|
235 |
smact/metallicity.py |
sha256=L6_zWyyEh0BnTiBNbM4y96MItVWmPbe5YQ0Eo8wu9wg
|
5547 |
smact/oxidation_states.py |
sha256=LY8ibLg9cAjY5VHTZVpkOI-ZItg8GFsyoH1bgz4E2Ko
|
6796 |
smact/properties.py |
sha256=58zFXOVcmsUqmsSwzMFFhkP2WkzgGrEFKp2mz93T870
|
6723 |
smact/screening.py |
sha256=4qhBXR0N56Hbgq1Mj-D3Irz5nX07aAjM59mYnmeJlo8
|
19316 |
smact/benchmarking/__init__.py |
sha256=Sx4gi7sxFdZN6FAQ1WNjmlTAz89vGCiqPVPvoCdDhJk
|
27 |
smact/benchmarking/pymatgen_benchmark.py |
sha256=mzWNiIAWGqORSkY_R6EKu2Sq9VSNpBBnxV8dVAc64rM
|
975 |
smact/benchmarking/smact_benchmark.py |
sha256=KIFcONUHdO02c7nlg0FOY3Ip4bTY26iyi_N4aBpKbRY
|
800 |
smact/benchmarking/utilities.py |
sha256=u8N5LJfJW336yo4xEoXKdID4YdmsvOH0QeKzHZhcy8A
|
1209 |
smact/data/Covalent_radii.csv |
sha256=I4NSsdwX4jldyJHp1hCNrkKC4Ss9dPTQGWYTEageylM
|
1756 |
smact/data/SSE.csv |
sha256=X03E5HUopQLlDFRtipAHhsEzBJfx0sFtTpOhV41D140
|
1128 |
smact/data/SSE_2015.csv |
sha256=F3sUKZP16f67rFnG6kCEuCptU5lIwhCf6MDjt8Xegu4
|
817 |
smact/data/SSE_Pauling.csv |
sha256=USHr6lf3nJIR0qJc__bdFltVIGi_Jylmn138tA3Kego
|
814 |
smact/data/element_data.txt |
sha256=2xOXndMt2DPggmLtwaTaLooxuBRG8IjwaSA2XfEPRw4
|
17321 |
smact/data/element_valence_modified.csv |
sha256=vty2HqpjQo4VTxeXONO4wwoG_Zo1Vt3w5MPy0KRAe7c
|
506 |
smact/data/hhi.txt |
sha256=rTDKnFGdbasLg-lpITwWXm7uI_Lhv5cCj-NdXWMourw
|
1811 |
smact/data/ionic_radii.csv |
sha256=FGAQj5GaMsJHRxZBfU6C8tI1xaB7z1ywG0H_S6_-7qk
|
854 |
smact/data/magpie.csv |
sha256=QCeCN5yVDBCGWwfE4wRP5qIMhBrvb_6BvLkS4L-N5B0
|
10915 |
smact/data/ordered_periodic.txt |
sha256=57m93bWmp5CNuIEYE5YIJ5Z1FomswJTJhOFtp7OI5Gw
|
462 |
smact/data/oxidation_state_probability_table.json |
sha256=zQRiWdmAifA2n7EN_JO00IUX4p_LHFuPSsnzuGkKJGw
|
39792 |
smact/data/oxidation_states.txt |
sha256=1dk_heU0E-gjE_bBh1DsgsQC6Jm4MpjGrv5ufEe4PyU
|
1780 |
smact/data/oxidation_states_SP.txt |
sha256=7N3txf1p7aS5kDSheacynP4G1dQmw7UKspgR8-6wXNQ
|
951 |
smact/data/oxidation_states_icsd.txt |
sha256=Zid6dpULPQfeUuYzfWOgD7TSbQ9x0VaHypJkgyKJJcI
|
1278 |
smact/data/oxidation_states_icsd24_common.txt |
sha256=83-kVCGIeeFXSs3GcNN5UQ9cvBF45CDMKsVSPZsWyb0
|
571 |
smact/data/oxidation_states_icsd24_counts.json |
sha256=DGIpV5eTHmWMU6VADBGXTPd4M81IvMsZHNdvZGmrHyE
|
122037 |
smact/data/oxidation_states_icsd24_filtered.txt |
sha256=UnU4yHh1TOSRgQOGEbGiOqwJ7hUFRp3lYJ3syTftBjw
|
1149 |
smact/data/oxidation_states_icsd24_raw.txt |
sha256=wivQwyrJeg_Yvaf2M-PgKUhZVwybTosxN6JluCF0gjI
|
1420 |
smact/data/oxidation_states_pmg.txt |
sha256=1giJWHoeyrZj2rfXIbocmmbnftGtNz-xkMuAmGkFHTI
|
1109 |
smact/data/oxidation_states_wiki.txt |
sha256=B2tRHGFGy1RuDy9AFZoxtIdnbC7Abryizc-RUHXBM_s
|
1723 |
smact/data/shannon_radii.csv |
sha256=PL8757eeqlaV9_PLQhLwJgIC-Y5kHvZHu9X7BmELHQs
|
11433 |
smact/data/shannon_radii_ML_extended.csv |
sha256=eAxN_nKs2a4uR1yY0gZiVa2zy-J492uXzw5kg3St5GE
|
29754 |
smact/data/solid_properties.txt |
sha256=cGEFdkwcshIp7K1HU5xzuIc9BeFR8xrgRF1-XdZIaZo
|
2039 |
smact/data/solid_properties.xlsx |
sha256=opS5SUmorvO2k1vx3iCOxnNkYMcHn8af6FQTnmMWIWM
|
43658 |
smact/data/species_rep/ion_embedding_M3GNet-MP-2023.11.1-oxi-Eform_cosine_similarity.json |
sha256=lgSqF0kbSEP_nRTnlYjFaT52M3Uahl0W2pKnrn1fTAY
|
2233484 |
smact/data/species_rep/ion_embedding_M3GNet-MP-2023.11.1-oxi-band_gap_cosine_similarity.json |
sha256=-1-RFGC5DTD9GEjIfgCSASunRp8-LcTiv_rMTwwqsnE
|
2216573 |
smact/data/species_rep/skipspecies_20221028_319ion_dim200_cosine_similarity.json |
sha256=o_rBhRnYT6EnpBg56MyYjQ6eUAnIwQfyEbrY1zlItgU
|
3423388 |
smact/dopant_prediction/__init__.py |
sha256=D1FTLkd6H7UZevFuIRPMGJHeYin-kShLSvlNIlzJLjk
|
389 |
smact/dopant_prediction/doper.py |
sha256=_GzuP1lk4yPYW5KiQO3K9Oo1qWVOcMCNBm7i3Y86SWA
|
14807 |
smact/structure_prediction/__init__.py |
sha256=2m6OP-RvBAWN7XlUaSXia85E3TB8uR3cbNVn1eupPNE
|
412 |
smact/structure_prediction/database.py |
sha256=OYFIQ8x8wleaDAKUrHw8i9H0JHrmXfgtCJY3_HOZ1MA
|
9952 |
smact/structure_prediction/mutation.py |
sha256=0QSnzEeUmEZsJY1FRoNY-BvNLMd7RgaPbuhrfdTJtso
|
15102 |
smact/structure_prediction/prediction.py |
sha256=JfCJoy3bmJPta4CdRW4z2_R4yHRkHx90c08rqOkGb0k
|
9653 |
smact/structure_prediction/probability_models.py |
sha256=Z-o9HJD4KCryS5hRk2vzU2k0GzhjD-bXf6iZnAr_df4
|
3764 |
smact/structure_prediction/structure.py |
sha256=dEM18OAwcyQcjba67VR-s_T1AHYyF-nQg4vSgkBnUrs
|
23869 |
smact/structure_prediction/utilities.py |
sha256=nwoP1FJTnBYXXCPMGqBjpgP1Exuk2Uc7FGFZ2_U96fg
|
2660 |
smact/tests/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
smact/tests/test_core.py |
sha256=fnaXOBvsp-XHb6NUGfCf0WnMiQJB1C9aPariuvneDWI
|
19203 |
smact/tests/test_doper.py |
sha256=I7I7DvP_Jt_nxFGNdCsvjSRgZ_UCVTuomOkazWNPIPw
|
3846 |
smact/tests/test_metallicity.py |
sha256=XvI9yOgjV_IkyWIXV3_g9vK9I7ZgzbwVPReDqU5tzoo
|
5777 |
smact/tests/test_structure.py |
sha256=Md5-yIctMlqgU5KjF7ELPG9SFZNB4gp1CMawtLgeMik
|
22692 |
smact/tests/test_utils.py |
sha256=N_0FGHgO0Sy6hHcApvIK3YiVs4P4eBRV1aG1Yj2qu7c
|
12713 |
smact/utils/__init__.py |
sha256=mF_ZseKID0qzDqBXOSdXUnHoiDaPl3kswO5rv_2bhD0
|
35 |
smact/utils/band_gap_simple.py |
sha256=YtYzMNMyQOQen7SHieDUSlxRXoktCn8JIh-VSh9lNIA
|
2068 |
smact/utils/composition.py |
sha256=av_CwhZXE7E-aQ00ULHf0-K3w9BzcncLJudumGzu6sY
|
3035 |
smact/utils/oxidation.py |
sha256=RGijlzbs3N9PIFUeayq-0qFCSfftLFj-ixlrGtzpquc
|
10350 |
smact/utils/crystal_space/__init__.py |
sha256=ciASDMLNGHnBXV09S6wjmDBAG_nR8D7uZVpLPSyp5fs
|
87 |
smact/utils/crystal_space/download_compounds_with_mp_api.py |
sha256=kDtPW21Vbo8cYf-GwS1yDqZq2NFcJHJs_gfTU6rCGWM
|
3494 |
smact/utils/crystal_space/generate_composition_with_smact.py |
sha256=XZRFM2p8isXwIyw8KSpAgIcodjwFaj-vJe3A87w4DGg
|
5415 |
smact/utils/crystal_space/plot_embedding.py |
sha256=O01e638WzEqb6v9LwYOjqEKu6OXUoJ3WIKinzvFfl7w
|
4451 |
smact-3.1.0.dist-info/licenses/LICENSE |
sha256=EpOsulSbyz5rGfFvGIkeY9eKtLoYlMM3z8_w7OiRosI
|
1098 |
smact-3.1.0.dist-info/METADATA |
sha256=tl5nZxliVJ-D1uX5Ayuu-463Lw3zZ_Y8PRSiAPaZNgU
|
16906 |
smact-3.1.0.dist-info/WHEEL |
sha256=CmyFI0kx5cdEMTLiONQRbGQwjIoR1aIYB7eCAQ4KPJ0
|
91 |
smact-3.1.0.dist-info/top_level.txt |
sha256=wCiv_Fi41tRbvJv9ZJf1kG0bru9m02_7t87zba7LUTg
|
6 |
smact-3.1.0.dist-info/RECORD |
— |
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