py4vasp

View on PyPIReverse Dependencies (0)

0.9.0 py4vasp-0.9.0-py3-none-any.whl

Wheel Details

Project: py4vasp
Version: 0.9.0
Filename: py4vasp-0.9.0-py3-none-any.whl
Download: [link]
Size: 134748
MD5: 0e146169879e266cf2cd279fd2966b03
SHA256: 5e98f969fea00bd05784515ba611c867d26fabf2921c5f0c36324b9a0b104fc5
Uploaded: 2024-03-25 11:14:35 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: py4vasp
Version: 0.9.0
Summary: Tool for assisting with the analysis and setup of VASP calculations.
Author: VASP Software GmbH
Author-Email: py4vasp[at]vasp.at
Home-Page: https://vasp.at/py4vasp/latest
Project-Url: Repository, https://github.com/vasp-dev/py4vasp
Project-Url: Support Forum, https://vasp.at/forum/
License: Apache-2.0
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.8
Requires-Dist: ase (>=3.22.1)
Requires-Dist: h5py (>=3.7.0)
Requires-Dist: ipython (>=8.12)
Requires-Dist: kaleido (!=0.2.1.post1,>=0.2.1)
Requires-Dist: nglview (>=3.0.5)
Requires-Dist: numpy (>=1.23)
Requires-Dist: pandas (>=1.4.3)
Requires-Dist: plotly (>=5.9.0)
Description-Content-Type: text/markdown
[Description omitted; length: 3778 characters]

WHEEL

Wheel-Version: 1.0
Generator: poetry-core 1.9.0
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
py4vasp/__init__.py sha256=j8gjKGdwjSQGz7OvlHW8q05l6tFNWI933ITkEtYa_8k 432
py4vasp/_analysis/mlff.py sha256=wpNf3Dj6V3idtigLTRK3-dTJTf7VQvlvLKC-yzvjxbw 12399
py4vasp/_calculations.py sha256=ML1XuNt8urCUEnzfHM2UGomp6TndYOYH1Wr0s7uHtDY 5238
py4vasp/_combine/base.py sha256=4Bv6dXGnmHNBeXZZ3vhvVRImNjYJCw3t4EHuCvCBKhU 3831
py4vasp/_combine/energies.py sha256=EJnms7J2722euSvXwmSZa5lDsPQYgV7d2B-dS8tc6qw 235
py4vasp/_combine/forces.py sha256=tEALAGJUXLtB9aQU-_hcJm7Pk4wFq2TantXlQc6NyEk 233
py4vasp/_combine/stresses.py sha256=8u8L1TE_kTdFBjtnlNgglSHyW6smmT3c7nhjEkTSoWY 235
py4vasp/_config.py sha256=kvWD9c6UK7ljsSSsedb0tHm1J2Rm-_KGwe5NmPdR_-8 259
py4vasp/_control/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
py4vasp/_control/base.py sha256=_Jz7HQTNgQ4h0IJetEbDRTn_fdAyeipsVLVywAr_UpQ 1780
py4vasp/_control/incar.py sha256=vKfEkw3909_nLpb-ZgpDEg96oYWVtl-kC4_UHxR1h_4 427
py4vasp/_control/kpoints.py sha256=cAJF1BvLAiHRrSSWLPNfc_BwRJ0K7am94YlG15quQK0 436
py4vasp/_control/poscar.py sha256=e1TUEUbbpAh4tNqrojhmSEM9IqdLVs2dvDIABTzYksc 1452
py4vasp/_raw/access.py sha256=6ZLGAzV-3_TeDm49hxkQJV-pG91a2rTHvW8B8HeVAOY 4897
py4vasp/_raw/data.py sha256=vHHHopLofZ6KzCeOu4OEgfFZAnQS7eqGLIfpmvQ6cCk 17800
py4vasp/_raw/data_wrapper.py sha256=grxl-0dUE7wUQciLAhvtI4Gu29Bb-969gIrcIID8SOc 3121
py4vasp/_raw/definition.py sha256=KSDdDmzqsYHFTlpTvW2fADrZirqhApR2zVuA1NZvdxw 14469
py4vasp/_raw/schema.py sha256=l4IfQyF_jQ9MFkOlCTKoROjK1TzBZkcCtduF5dJMVQo 7658
py4vasp/_third_party/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
py4vasp/_third_party/graph/__init__.py sha256=FOAFcCQzGeg2vIbfLH0aXxX6qd0jj0SIV2LhBZ2zdI8 693
py4vasp/_third_party/graph/graph.py sha256=xP9e1XcoyeAs_VJsy2zbSbkvg9B1DHLYGW3CYLMgq_Y 8764
py4vasp/_third_party/graph/mixin.py sha256=VrgHaZREmf_JIr6dubu1jeZGCDxKGM6_ms9CWzubP5A 4288
py4vasp/_third_party/graph/plot.py sha256=Y_o_28-R9zPAlYv3jxsw7yyZCa4v7IrZ2GeSyQRjL8A 1737
py4vasp/_third_party/graph/series.py sha256=Bse2dPGyLtleGraJ1_ZZJvozF1jttoVJKt4hryCDXC0 4286
py4vasp/_third_party/interactive.py sha256=DKAOEY8jyx-7CcnOXUbK65aQc3l3-LEz4V34avvGGYQ 820
py4vasp/_third_party/view/__init__.py sha256=zyA-EQjldY_f3izPToMY4xO6xMkS8Pgm5qxUGaL_VY0 204
py4vasp/_third_party/view/mixin.py sha256=wST9NUhrPte6SGMq1jICs4I7zgbIjEMWMkJSo6l9J8M 1409
py4vasp/_third_party/view/view.py sha256=PTp_gkFLObjxkzJo0YA02vwdE3LE-Qh-79djMhjU-Ec 7823
py4vasp/_util/check.py sha256=zMhGhbMyDoP6V-DszYxjA_SsrPGkR_Dcf_YUdfwDfac 882
py4vasp/_util/convert.py sha256=s0wKMq--JPrrKyQkyvLA0MgqziEVSfZejpZw04bnZ3U 2489
py4vasp/_util/documentation.py sha256=lGdkLL0Vzf68jwr_8EObYhnuurtGPA4ISyeaKxhyYBU 422
py4vasp/_util/import_.py sha256=dLlQwXUzHbphHC5MizvB0N3APZ8YukHMjPIAoR2J8eY 712
py4vasp/_util/index.py sha256=mTIFaWC5-7yVYZP8D1lhdbpIeTs6BMb_WP2BlQMuFlg 13920
py4vasp/_util/parser.py sha256=jIsOZDhXRFBbi6n1dvGlLELhsbQWEeiVAH03J-WxO6s 13283
py4vasp/_util/reader.py sha256=lrBpchzWLr5zKpxPw8qHiaz6FOHN17eHXW9qMTVSasU 855
py4vasp/_util/select.py sha256=_0BiN7twftUxfSQRLBzn0yjgqiCIQffva7bFvOFfTzI 15481
py4vasp/calculation/_CONTCAR.py sha256=4bgylcBbiqhKirudcCrZY44RCBrx_vQme1UssBqOX10 4453
py4vasp/calculation/_OSZICAR.py sha256=vvAX0Mql3B4Y0A21KoQGxDlsGGsu83rW94OGlZ3JOwo 4077
py4vasp/calculation/__init__.py sha256=1u4sDTomS0X7cgAl7_qTNlLWlUc97RXHUWgZBWqVih8 3022
py4vasp/calculation/_band.py sha256=i9YuKOipGloGGwJ5O6utzw98Aucp6PiiAZINXhl_Qds 6642
py4vasp/calculation/_bandgap.py sha256=hjnjrfGm4NgA8yPLC6O6K8_HCnDWygabiVYi6vnSXbo 10178
py4vasp/calculation/_base.py sha256=GDhPTk3aEpxkEwbViDs2kwLrOEWqkyVxZT75LlTw6cs 12483
py4vasp/calculation/_born_effective_charge.py sha256=5ue3GSPftJqB8kD4MSmznt0e1aiVgayR7BF5k76eWw8 2275
py4vasp/calculation/_class.py sha256=v4qv_qBvbgAsxyhAihCUDUU8j5vyHbdceybX094pXW8 5031
py4vasp/calculation/_density.py sha256=EgjSIId22jf0uyBZN1sFemHFMQTkl5Azve2f_YJgRMU 13142
py4vasp/calculation/_dielectric_function.py sha256=VuY8jU4PhgBBskTHmb5ohLX9rvzgGjpyC5-D4LTQdvs 6710
py4vasp/calculation/_dielectric_tensor.py sha256=-GBUKqYpMePmPnExbLkZrHUxL6GYLp9uVSInjS8SB9Q 2780
py4vasp/calculation/_dispersion.py sha256=HRM8_GP64rgGtz_9YAi1tSYXmLq2fgDa_l8qZB5MCDk 4356
py4vasp/calculation/_dos.py sha256=SChQy51gI_6mmnO6BbuQrw-6t2euqY_9pyEkMoSKLcI 5660
py4vasp/calculation/_elastic_modulus.py sha256=Y3tFFk8pccoSxxl3eTrCRfiiB_iGGPqsPvp5odaCVXA 2442
py4vasp/calculation/_energy.py sha256=F39fNUq83Yaqew2jCLazKmpNzG7zfv1XcvAELWd5eBo 7573
py4vasp/calculation/_fatband.py sha256=xiSpHi3WX3RBfNV1HnTftyKj95wq1UT_X0lsm7TG-NQ 2541
py4vasp/calculation/_force.py sha256=GOCKrLip3rpymdf4M-pJ7QQtI6rLNf1HVFo5dKY8f_g 4071
py4vasp/calculation/_force_constant.py sha256=2kNhqK4ReEfmt2db-nNkclAL1oDfniYqmD6gl0SzUr0 2563
py4vasp/calculation/_internal_strain.py sha256=lFXAD-tF2TG0efJGSWBqcEqzlpq8xK3CWacCav2SHsg 2400
py4vasp/calculation/_kpoint.py sha256=bbQK5_DBTdlQEa1GlzQB04Oh_C_Wcy1Gp4I0RqQrM2E 9790
py4vasp/calculation/_magnetism.py sha256=Xdrn-8qfFtYUqssn0E-nNqyT1LLpoZJrshkqenreBH4 11358
py4vasp/calculation/_pair_correlation.py sha256=06LUlN54H-Ni0Gkm0ogQ5GVXGOQ6mwxMTyc0sJYpETQ 4614
py4vasp/calculation/_phonon.py sha256=Vb_uEqIQmyD1HOWs2SqlHE1eZS8mXDpAFBX-cr4Lm1U 2057
py4vasp/calculation/_phonon_band.py sha256=oUqF2qWDWQBjIFUl2tS5QmII5p9Shz31XLTVoPmGmhA 3600
py4vasp/calculation/_phonon_dos.py sha256=QfXWNXa6ZRHgCnH_LTo6Rw3RSmDl0tQpv80l2LvCKO8 3565
py4vasp/calculation/_piezoelectric_tensor.py sha256=rjxX_Rs_Sk63UKHMn7i5EmEmms6ubRn5OdUNZ7hycEo 3005
py4vasp/calculation/_polarization.py sha256=c08DIq7cuUJnEfpfRpTXtC5twUuRhgE6DD_15PNgtJI 1716
py4vasp/calculation/_potential.py sha256=r4H-2Megpt6RORneGiXMoXdHXHBsDennugVIVOasUm0 6797
py4vasp/calculation/_projector.py sha256=n5hkxxj9vSbm2Mnpcl6YsxQqCouqHFu-0MKiW_cWTZI 16507
py4vasp/calculation/_selection.py sha256=8B30_XgaqkhcgMxtILPN6qVwqGsOMMxLRK0Bm3EHz7E 430
py4vasp/calculation/_slice.py sha256=NVHufIv0cy6K-WEdjmSWrZt9qEIDa8y9rr-KKx-69xU 2362
py4vasp/calculation/_stress.py sha256=pamkpL4-dNv0wUxzHXIy1HIs6MZpnIFF0vvSXg2puNc 3255
py4vasp/calculation/_structure.py sha256=oQ6KoOqD3RY4f9V1RbjeYs-QAx44CIx9qIVTCJ3PSWM 15205
py4vasp/calculation/_system.py sha256=e2InS0qydWex2qOsP92i4IAoKNxDYo8ht1k-6MQZKaU 566
py4vasp/calculation/_topology.py sha256=k_ZsQUc_7I8AEDJbZnKrxcjGyLaNyS5U1YnkwKeoXk4 6562
py4vasp/calculation/_velocity.py sha256=6yrA0Jro4Cj4MpsYcSZ1CFA7beL5qq9Aj-XoipPZrws 3832
py4vasp/calculation/_workfunction.py sha256=-FwRbtW7k8uy6F7pFymfdP1gLxFToVFKbmaYFEeyh9E 3425
py4vasp/combine.py sha256=BIkMzm0p6WCoHxblbAvB9c5DUv-ftcNvacYHujozXK8 257
py4vasp/control.py sha256=7zPh4mdrJSulq0f4MWm2KDLnGxGTA7pRqMs732ILguU 501
py4vasp/exception.py sha256=bdig6mTL_v-t23jVfICTEkQMH04B7PbKhNMW-4BZyfs 2408
py4vasp/raw.py sha256=jHAzzQ_gJuAOwtzDTvPsjJtqkEvVqqWNSp1eBSAAv2I 885
py4vasp/scripts/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
py4vasp/scripts/error_analysis.py sha256=C8ZGABCEZbIvw_06u8dFbab7qLHu1tHqat-CDNU-D6E 5433
py4vasp-0.9.0.dist-info/LICENSE.txt sha256=3Fjy6gyZSnvSmZ6FItpNFdelXf0Ypb6kUwQk0RPE5-U 10178
py4vasp-0.9.0.dist-info/METADATA sha256=pXDSdQWv5xVBUJ5v2Hlv0Nf6vCoNVB6zGTuRrF44dg4 4832
py4vasp-0.9.0.dist-info/WHEEL sha256=sP946D7jFCHeNz5Iq4fL4Lu-PrWrFsgfLXbbkciIZwg 88
py4vasp-0.9.0.dist-info/entry_points.txt sha256=6LhQrqurlJxWfmxcEbHl4yWtjX532sUrZgV3Fx5p_Lg 70
py4vasp-0.9.0.dist-info/RECORD

entry_points.txt

error-analysis = py4vasp.scripts.error_analysis:main