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elastool

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3.70 elastool-3.70-py3-none-any.whl

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Project: elastool
Version: 3.70
Filename: elastool-3.70-py3-none-any.whl
Download: [link]
Size: 140628
MD5: e886a4f615aeb5b428654b9b73f974dd
SHA256: 900c3d89798f10bd668f4a1cc2c44d87d73d66c4e7674ef23eca136543250241
Uploaded: 2024-08-28 13:38:42 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: elastool
Version: 3.70
Summary: Elastic tool for zero and finite-temperature elastic constants and mechanical properties calculations
Author: Zhong-Li Liu and Chinedu Ekuma
Author-Email: cekuma1[at]gmail.com
Home-Page: https://sourceforge.net/projects/elastool/
License: GNU GPL version 3
Requires-Dist: numpy (>=1.20.0)
Requires-Dist: scipy (>=1.11.0)
Requires-Dist: matplotlib (>=3.8.0)
Requires-Dist: pandas (>=1.5.0)
Requires-Dist: seaborn (>=0.13.0)
Requires-Dist: pymatgen (>=2023.10.11)
Requires-Dist: kaleido (>=0.2.1)
Requires-Dist: plotly (>=5.18.0)
Requires-Dist: spglib (>=2.1.0)
Requires-Dist: ase (>=3.22.1)
Requires-Dist: pyvista (>=0.42.3)
Requires-Dist: selenium (>=4.14.0)
Requires-Dist: catboost (>=1.2.2)
Requires-Dist: matminer (>=0.9.2)
Requires-Dist: scikit-learn (>=1.3.2)
Requires-Dist: tensorflow (>=2.16.1)
Requires-Dist: keras (>=3.0.5)
Requires-Dist: bayesian-optimization (>=1.4.3)
Requires-Dist: periodictable (>=1.7.0)
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 18472 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.41.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
calc_elastic_constants.py sha256=u14ci4UPvH9nbrehBy-F8tR78YgBHSZVE_-3A2HPh8E 95672
calc_elastic_elate.py sha256=-WLMFJfdwRDrS5xZEgsdEvYJipPlO9TGyNtT8QGk0N4 2199
calc_stress.py sha256=mVFTlucZm2SBw6mtBgXejq24P2L0CsfEzQN5kuvwcU8 6958
christoffel.py sha256=SqspFKSbcWHXcXHBAGvdG24a5eVFA2MOGRfOWbI_BX0 35005
deform_cell_asess_strains.py sha256=42cZq0fojABOHxQqStdOsVwdhjK19UA-yUDet8Vm0do 1601
deform_cell_ohess_strains.py sha256=MRs_-zUe-e-QSVmcGdv4ljT-xVpXCLVRqqyb4YygiTA 7583
deform_cell_ulics.py sha256=X1nlZH0NqKYqQb5eqf10Ss4oslCAeZpEJE1UMB-s6So 6377
elastool_elate_browser.py sha256=Td5bMXo-a2HHpoT1D1LBltWk-RXRj14RNGrYZxcFD_4 2071
elastoolgui.py sha256=MHwulnpPeybw_ZUoC1AUS13LSnn-V3UulDF-avhoVDI 19849
elate.py sha256=r6uAvBF9_2FwKOzA_qAqJRo1EYV5s0ZPH2HHjv6tx1c 157631
equilibrium_md.py sha256=liHAP9xf-NAnUU6wmwfDFLPHuXAY0lbBqqmVIMe6xEk 1448
extract_mean_values.py sha256=Q2A6Xwx7E1r-myfWABKMmvyT_dd96aE2yBZ7QA31yf8 5350
find_spg.py sha256=OspXRjP9wGKf7AVBX9Iqrwp7KtvmDmnRFYlTJ_MJ8ng 8855
make_conv_cell.py sha256=SL6QfOdeAMeN8UKUo5vTQeLAFdiLt9JrVb-5PZMkZkw 3296
material_analysis.py sha256=NC0qTit-qvxyl5pWMthvPPSXw4NPIGW6xY8XOOjWHpI 78759
optimize_initial_str.py sha256=Ub16JiznBqS9Gi-uI8V257cpfonRH6Qfq_xDFmyF9Xk 2497
plot_christoffel_gnu.py sha256=ceXK1mfTrhqYW9czjqZuabZL7JFZKbmmtmoaIrYSVsY 95923
plotchristoffel.py sha256=SrYzsU5n02e9WqXBiQltcXhkSjXS8Y29xS9BpEWfpQs 12289
predict_thickness_2D.py sha256=oUipWqWQuUBtdVQKokUZiPbDT0CT9gzCOA0Wy61c3oM 19220
read_flags.py sha256=P4Bk_hCOfqDMaCkdr0BcFTfdbilJ7X986UVzOkv3sGg 5665
read_help.py sha256=pmE_LdXTlxGnzH6G8TS4IGCVvMUIloLqe2sqxV3i1sY 899
read_input.py sha256=mFTNpjXb1BCTT8f-1jCnYLAiNluybVpars_AzhEtxeM 8171
relax_atoms_pos.py sha256=LP2uYnXgfmVcuwdKXvSCu7nF1tjUcR-wF1Fqtk55z_E 1369
sound_velocity.py sha256=G3j_VJ0uxfjxuOrfk7bWskbYtq9dxWVrIdnh0CBSflY 44824
stability_criteria.py sha256=vcGiRWaWeS9ngVJ6YfZBbRqMNcQh2MMLjGG4AFsOEXU 6307
strain_matrix.py sha256=BKkWs3v9SnCe1yUbdzPRs4dQ0A63vhWaHej3gsrfJBs 13883
vasp_run.py sha256=k1ydiKmt6Cp5FDlZo1jivShibGzKkIteJChmwxHoYIk 4380
view_file.py sha256=l8l7MuL4QxzU_UKdczqgODIhzu-pxx9LrN9MaVPzSM4 5005
write_default_input.py sha256=-CioVZ572ihXDgSzfBffKKleY6n8QrBrZMx75VYYLqU 14296
write_incar.py sha256=d20Up06ULmibWK4dTiJ0EqbFSa7LxOVK-1F07icHCHw 1444
elastool-3.70.data/scripts/elastool sha256=Mn_fM-7SwCe3IUEZHJnm9bDhhudQbHEmejYpXd8PYnw 34440
elastool-3.70.dist-info/LICENSE sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY 35149
elastool-3.70.dist-info/METADATA sha256=T29IWk7KFOn9dTvSmZyadXdgiyfRy3a9Vovkkhcal-8 19473
elastool-3.70.dist-info/WHEEL sha256=yQN5g4mg4AybRjkgi-9yy4iQEFibGQmlz78Pik5Or-A 92
elastool-3.70.dist-info/top_level.txt sha256=I-EMEdCu1oLbwIZGtPTjjtL8FR16XYN4Zmlco7L5jBg 480
elastool-3.70.dist-info/RECORD — —

top_level.txt

calc_elastic_constants
calc_elastic_elate
calc_stress
christoffel
deform_cell_asess_strains
deform_cell_ohess_strains
deform_cell_ulics
elastool_elate_browser
elastoolgui
elate
equilibrium_md
extract_mean_values
find_spg
make_conv_cell
material_analysis
optimize_initial_str
plot_christoffel_gnu
plotchristoffel
predict_thickness_2D
read_flags
read_help
read_input
relax_atoms_pos
sound_velocity
stability_criteria
strain_matrix
vasp_run
view_file
write_default_input
write_incar