Wheelodex » Projects » chi1chi2 » chi1chi2-0.9.5-py3-none-any.whl

chi1chi2

View on PyPI — Reverse Dependencies (0)

0.9.5 chi1chi2-0.9.5-py3-none-any.whl

Wheel Details

Project: chi1chi2
Version: 0.9.5
Filename: chi1chi2-0.9.5-py3-none-any.whl
Download: [link]
Size: 66251
MD5: b72ab254de1b12be4bf538fcbce99a29
SHA256: 68a4d6f0161cd2961aa4dfc7e8a1d29887cdc050007753246488c1b55d9e5b31
Uploaded: 2022-01-07 13:07:12 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: chi1chi2
Version: 0.9.5
Summary: set of scripts for calculating linear and nonlinear optical properties of organic crystals
Author: Tomasz Seidler
Author-Email: tomasz.z.seidler[at]gmail.com
Home-Page: https://bitbucket.org/tomeks86/chi1chi2
License: MIT License
Classifier: Development Status :: 3 - Alpha
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Natural Language :: English
Classifier: Operating System :: POSIX :: Linux
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Fortran
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Dist: numpy (==1.21.5)
Requires-Dist: PyCifRW (==4.4.3)
Description-Content-Type: text/markdown
[Description omitted; length: 5145 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.35.1)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
chi1chi2/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chi1chi2/analyze.py sha256=S3BQvs16zNm8XNxNgKQUcKaNzh52dgYCBIPT9FHHyo8 1682
chi1chi2/calculate_effective_d.py sha256=-ZcRcivmb73_RTv7bpBrofhiEPbyra97VRg9LdnOTPI 5712
chi1chi2/from_cif.py sha256=f_sfPsE5AyVLB8vzX4FRl9rgBXyC3_PT5G5u7N9EdRY 5186
chi1chi2/from_crystal.py sha256=eOEjdaklOQhOMS4IzmbkobZ5x-FzdINbhncyrfKxeyk 3743
chi1chi2/from_fra.py sha256=ZpI_ezilY8KPruFqLQ51LLbcBy-mZochIFAki-ZeBJg 5015
chi1chi2/input_preparator.py sha256=xK8RY-obZ5C-F1WlwDOpSK3I_Baw2LF9KOcPJX8e_mE 3094
chi1chi2/main.py sha256=QkyHieDE0U6vBMFKmcihcHScl_wci9BGP13MlVr5zdk 4604
chi1chi2/charges/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chi1chi2/cif/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chi1chi2/cif/cif_parser.py sha256=s8HOwCvTuqaNiccrNn_NsgdYRUgJu1MbbWBf9Ut9B-Y 3821
chi1chi2/core/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chi1chi2/core/bulk_property.py sha256=XJCBcqt9xICl9e5xRT2Xp4M20Bw38oiDdEIU0XAoEMc 8534
chi1chi2/core/property.py sha256=o2I_kV3SGfLXZN1_ULPVCH0uktK4mSrQecozI1oq5LQ 12662
chi1chi2/core/property_reader.py sha256=zQ5rBBIsTPi-vBg4RUsDDqoiGd6UUGjL1SRW45KbP6Q 11975
chi1chi2/crystal_support/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chi1chi2/crystal_support/crystal_reader.py sha256=-kqQynbQ0sQytvBe8jOC1gvU7XsN_lSI0qvkONYgoqw 4822
chi1chi2/helpers/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chi1chi2/helpers/calc_pol.py sha256=bpNQV3hoLVdrrdpIfp9RaXZ7sx_W0OAbFqDQhu-i0as 7335
chi1chi2/helpers/read_g09.py sha256=p5FHtiQ19lQQxy26krn0n-IEvSA3ObH45YZb7KyHHRE 6509
chi1chi2/helpers/scale_props.py sha256=aQwC6o7b4_ArBS0FmngjANypvnXNVulQFS5KjHtfDxE 11088
chi1chi2/input/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chi1chi2/input/input_preparator.py sha256=vYH3hHjuE6WLhc6Z85ye6572KLUr2AnGhZ9RHaW1JTg 6093
chi1chi2/periodic_table/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chi1chi2/periodic_table/periodic_table.py sha256=kPnuXclrc-LwnoEi7NVJ15neIKEsM-luVSDRBFeafoc 1567
chi1chi2/periodic_table/ptable.csv sha256=SENOY2mG-6VldQd-V2Hp8uwPmyOynxB9eo1zQhnz6fA 726
chi1chi2/utils/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chi1chi2/utils/constants.py sha256=j3QOQYEBLaiYKof-pf81g2VAsu-niIQuHM-mfa2M0Yw 7560
chi1chi2/utils/molecule.py sha256=AjMuyD2XOyAP_LdpLX5jyMHYVns_SwO7bDoJh5Amtgc 6402
chi1chi2/utils/molecule_reader_writer.py sha256=k1K58nlZdoru4xBUZ4ns2NLvkQVNy5b736bXZCB40L0 1814
chi1chi2/utils/molecule_reorderer.py sha256=0kuZqHw9CppvAaFJ7z-D-mpFyke_Gh6lmVQoYdP3aDE 9339
tests/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
tests/analysis/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
tests/analysis/test_analysis.py sha256=wy2X7yKJ4QnG1Dw2YAcotVPoe9lVGNen280f1emp0kY 1880
tests/cif/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
tests/cif/test_cif_parser.py sha256=i9tn7ghexsxH_3Rjb6dnIKL7btqlSEHceHb90vaH4hc 2803
tests/core/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
tests/core/test_bulk_property.py sha256=K8t5o1C9hhESiLFpiscHnzXX3cY_EJv7Sjl0ih6EbX8 4596
tests/core/test_distributed.py sha256=Y7-7TltUlOoolWMGH2osSs_KEtmoSAQFm_DVtQe2ygo 2636
tests/core/test_lorentz.py sha256=e8JLJ_8sUlFr9KC6y-KylO62-IXYgt7Kk8G9qwieopo 1308
tests/core/test_property.py sha256=0KsPa1LVU5DKyiiw_1d1WN9rpGFZyTh42HWnP4tsq70 11097
tests/core/test_property_reader.py sha256=dsD1kZcolcU2t7-Td7kA1rD2xYuno6e-g6lU7Bt8xDE 5220
tests/crystal_support/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
tests/crystal_support/test_crystal_reader.py sha256=wk7rVdnHMwZtDmS-dK1r9geAzw19Wp8wpObR4RpEevg 2067
tests/helpers/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
tests/helpers/test_calc_pol.py sha256=JFIzAidEPEuFPCpZt9tQRKls-kcsl5GM-vKGfwVFQZ8 1280
tests/helpers/test_read_g09.py sha256=X9255ffOLXobJcVWSAso0wQGk6nYMiI02sPBRvFoz44 1349
tests/helpers/test_scale_props.py sha256=a5Qua0oqAbxKqIqGBazcE2E8TC-qj3P547EOpHzAkMU 2458
tests/input/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
tests/input/test_input_preparator.py sha256=aAz3fR2yTR-HKAZGt64EY6ktdgb7s3cSV-epxzDnpxg 4811
tests/input/test_symmop_transformation.py sha256=iiPpauuBq5tpIurHe_tEkIM-HcnJF519VeP2V9hHx4k 1633
tests/input/test_symmop_translator.py sha256=ltiCHhEfcEoaJUfDrOcoxtGDbVy_s-qo0HpfftaBjac 2393
tests/molecule/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
tests/molecule/test_molecule.py sha256=Ptv2Dz2tHwsbKTvNZQKTUPLIpSYgCh4gKCsS1TQWAcU 8663
tests/molecule/test_read_write_molecule.py sha256=leMOVQsGJMXxpKLzr_HN5WwdOMYIpZ16pOKChWnDZ1E 2082
tests/snapshot/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
tests/snapshot/test_additional.py sha256=uTfrrxZDkl-v1FeVaHoxxrJS1SdX6t-wqPPT9dCSFTc 394
tests/snapshot/test_dast.py sha256=o6Fm_2q8P0h7zqWqGoX6JZB5JTAJqbzzi9PVAItLxfQ 3151
tests/snapshot/test_mna.py sha256=rO1gHTiM0p5my53KFXPNPEtyL7CemKuVLvIsRXP1fyk 3124
tests/snapshot/test_runner.py sha256=-Mx17SsKyG1IG8GAZrABNCMGBjBuVfez_fxvUufOsKY 4208
chi1chi2-0.9.5.dist-info/LICENSE sha256=azy_CAubvAo39ijQUfbeJ_veWcFu6bLIDI01_BNnh6Q 1072
chi1chi2-0.9.5.dist-info/METADATA sha256=Q9kVFQjsLJJwk_jgJvbfs9nb9Ac48yfKmqVKvlIChKk 6036
chi1chi2-0.9.5.dist-info/WHEEL sha256=EVRjI69F5qVjm_YgqcTXPnTAv3BfSUr0WVAHuSP3Xoo 92
chi1chi2-0.9.5.dist-info/entry_points.txt sha256=fBBys6Ft2W3GEnSO6zjF7XBG9o2jKBv2RaRWQNNVvFk 302
chi1chi2-0.9.5.dist-info/top_level.txt sha256=i3siEKpRdx6QpJBeUfC_omVP_3eV5nqq9lJDVtvud08 15
chi1chi2-0.9.5.dist-info/RECORD — —

top_level.txt

chi1chi2
tests

entry_points.txt

[console_scripts]
chi.analyze = chi1chi2.analyze:run
chi.d_eff = chi1chi2.calculate_effective_d:run
chi.from_cif = chi1chi2.from_cif:run
chi.from_crystal = chi1chi2.from_crystal:run
chi.from_fra = chi1chi2.from_fra:run
chi.input_preparator = chi1chi2.input_preparator:run
chi.main = chi1chi2.main:run