Wheelodex » Projects » theodore

theodore

View on PyPI — Reverse Dependencies (0)

2.5.0 theodore-2.5.0-py3-none-any.whl

Wheel Details

Project: theodore
Version: 2.5.0
Filename: theodore-2.5.0-py3-none-any.whl
Download: [link]
Size: 171400
MD5: ff8a8ec08b67e0df5912f2d5101de1dc
SHA256: 31953cb152cb0d41531cde679acdfef5c2da80b707404b5636be24d2b73f1304
Uploaded: 2021-07-14 10:03:29 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: theodore
Version: 2.5.0
Summary: Theoretical Density, Orbital Relaxation and Exciton analysis
Author: Felix Plasser
Home-Page: https://github.com/felixplasser/theodore-qc
License: GNU General Public License 3.0
Keywords: theodore
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Requires-Python: >=3.6, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*, !=3.5*
Requires-Dist: pycolt (>=0.5)
Requires-Dist: cclib (>=1.7)
Requires-Dist: numpy (>=1.17)
[Description omitted; length: 2559 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.36.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
theodore/OB_repl.py sha256=jj2A51IkjqyUmNt_eUlk9lBuEu5a2uYALbn1HgePL34 5476
theodore/Om_descriptors.py sha256=bQvvx6dHpxB5i0mo1-z3F7GDd8Nx3m5eUZYzTNNSk4Y 5078
theodore/__init__.py sha256=Z2mtB8GZJYjbYls0sIzqx8bzQ8tIyJPH6KzzMrnoRk0 25
theodore/atominfo.py sha256=HkH9sGf6fJY1ASbUhmpROa9FrKIhgoTD0dTaVZRW3a4 5689
theodore/cclib_interface.py sha256=lTVkIOtR8hb8JQSUuSZshmBvqYnr9brlMPggZBbeRe8 20251
theodore/dens_ana_base.py sha256=RPuXKeKS86nU5aAFx1e9v32Iunq8Y2nR-Yj7evN1DHM 10198
theodore/error_handler.py sha256=Kvt9f_ImsBzuQRQj4RlrM7zJUXcFlv-vG0XjB2LiBIA 852
theodore/fchk_parser.py sha256=hEXUDQOaODGAIZ7mmc-3jYAwGfP3_CEE3zSv-d8XJzs 9208
theodore/file_parser.py sha256=rS0T45tMjVA9LkmaU82qiHlQT2oEybWZCyzTuUdBgc8 67545
theodore/input_options.py sha256=72JcZyEJA6l8LVstWblcBy9f4nx0cSod4w2wqkya5ro 15084
theodore/lib_NICS.py sha256=cCb_vBZrT3cRIjnsWb_Q0PaUlP9X0CN5nRGIdp91GA4 9937
theodore/lib_diab.py sha256=Dh0u43DiVJzv9cg-UdzWfq_buzXWQ20WFT8PGSQShqY 4189
theodore/lib_exciton.py sha256=7OlHaPl_ObUQVTE_nLf-8IHnR6x_bjHxpPvXik6o86E 2219
theodore/lib_file.py sha256=cLfylwvg8iuDQg13M5Rt6FIejQXFebz6WbUzQzw700U 6014
theodore/lib_mo.py sha256=Jg5AQInvMos21oLqTLK4Jf1ggRvnbdsc4KziK6xcmvU 31143
theodore/lib_plot.py sha256=L1NKzbbEhwsx971IHU9ketXvts4KKV4Tqw-mhoEkxjE 7668
theodore/lib_pytest.py sha256=RZaf6MiZUf7WQQ3tZdpWV1lN-LF4W0Yyzh3_S4wrY5o 3888
theodore/lib_sden.py sha256=dQtrdpABNiCaZWqVqIba4aDxbn1nCHBInOE6LNt4L0c 12448
theodore/lib_soc.py sha256=e2nBSL8HzCgXA2g9cOEl-O8FG4xh9fuULUhjn-pcR38 8706
theodore/lib_struc.py sha256=JlyWUzngUSXIfsS_VW1DR-FxSWeH96pADYOz3zFbOcU 21559
theodore/lib_tden.py sha256=kZmdipNB5fYy1IM4fCJQLas0dzYxtKH8JXqafS_YPoU 27085
theodore/lib_util.py sha256=0xUAa2zEMVfjy_ur7QwLdhznIjBK8qokpEgIAizLPYc 4643
theodore/orbkit_full.py sha256=VWpMaj-kDPnIT9Z_OctxSDH6C2hIlpNYVA8ucL8ahhE 7691
theodore/orbkit_interface.py sha256=YBvEhGcuT86tnX6-XhzI2Le0CBWHomNh16_XgjGYZRw 1446
theodore/pop_ana.py sha256=roHH3FZGwGLywgI4_4NtWTsC0XiFYu0rkd5eHJs3YDQ 5162
theodore/theo_header.py sha256=3jsnCtcRZANaP4yAw9eLZibDo5XzcBlbe75Demrxy84 5278
theodore/units.py sha256=Kvy7_YlDCU4mrQyyl0NC7di5IcspwOnoW97BSdQxSEM 2804
theodore/actions/__init__.py sha256=T_7nJRGCCAbYUgZHzotFhhKX-ii1-T4h-Xq9CVadT1I 837
theodore/actions/actions.py sha256=Hu_tmHrnYavsDoGOQWKloj5K1gJv0wkpOVEdWfqx5bY 989
theodore/actions/analyze_NOs.py sha256=fvLgsW0AWxTMCf6PnLEW4jUy809Rq1IpHdaSWq8TsV8 1266
theodore/actions/analyze_correlations.py sha256=SOm_zBIwkBdI5-lVkQIBqCbKww14f_FHmJCQRPNeTNI 45763
theodore/actions/analyze_sden.py sha256=4qfFwA9n86iJx8EnoTy1bxJ2gH8yUDa3QI4t2Lk1oyk 1483
theodore/actions/analyze_tden.py sha256=Tb4e50LTN9l27qT4vZg3yGOA2dzdq-Qa5Djc-XASIOc 4781
theodore/actions/plot_vist.py sha256=unI2FpOSmOjLeaPR2aFOCCiQpWopE9CGM2J_7xrVGc8 2256
theodore/actions/theoinp.py sha256=kIr2yPBzuzRVKhlKwlgpjWooQ2exkFEU9CXS_Lzlpxg 20112
theodore/actions/theotools.py sha256=9ukeBrYjv8oZ_FvyTRCBAR_cPyjkN5vQDVXvY9my8SI 1049
theodore/scripts/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
theodore/scripts/a.py sha256=q6kMlS2o4pZXdOYEuQI9ILocwQKndbwK9nVV8cS4Vz4 257
theodore/scripts/analyze_NOs.py sha256=KV8K901bc8p3_Il1qPOU8kw-VXkrJ3OBGYSmHr8G62s 1316
theodore/scripts/analyze_correlations.py sha256=SOm_zBIwkBdI5-lVkQIBqCbKww14f_FHmJCQRPNeTNI 45763
theodore/scripts/analyze_sden.py sha256=uj6DPk6pSrk63r08lkF88ANOwPcy4qvm96yGgZDfFnc 1324
theodore/scripts/analyze_tden.py sha256=e3QO3iiPaNQAh3FDuW9Idqtqdzl9aaw6M3z7yFsQbEI 1824
theodore/scripts/analyze_tden_soc.py sha256=H0ShCIEC9vTZ-7iWL3gD0hwtH7yxq2_i9eEhs5IYImM 1352
theodore/scripts/analyze_tden_unr.py sha256=HExU6Pi5WCssPWdW9ECqfip_e8rJwZ5Yr_P06AXQMgA 2727
theodore/scripts/babel.py sha256=zGUz6kioD9qO9GToaO5vky9NgB1GahEgXQc4uw6Wkro 1755
theodore/scripts/cc2molden.py sha256=zQ1Mlc4BxNXICl6ns3WJm0JKP_899ESJ7GaDQcfKmKk 1333
theodore/scripts/cc_check.py sha256=7jTURkIfgQEmUnDIRmvhY5TWGgkKWOuQD1BcfuwKRsQ 1290
theodore/scripts/cc_opt.py sha256=Nyrfltj__GUqG_x1Gmsl2k_iBtYV4FxyCkrzxmjI88Y 3848
theodore/scripts/convert_table.py sha256=OsmvuWZOjjjmF7ny_-eXOGln85geENQbBqtjeuBculM 3644
theodore/scripts/dgrid_prep.py sha256=GmgnvWdEYok5EkL9PWNELZtG9rNuUlXAbdq53UArM8I 1921
theodore/scripts/draw_moments.py sha256=yyNpC-p5tvs9UoP67hDvcoSTDT3Lt5YIkuq3m-WaS3w 6960
theodore/scripts/ex.py sha256=VoKq6p78JGK8g1fQuXp-L24DbZIEFsLNQGr2VZv5Row 257
theodore/scripts/extract_molden.py sha256=hAKWKHe9gQJTdbKuKbYEItrWJ9S52R78HGpgVEJ2UR0 3578
theodore/scripts/fcd.py sha256=-oRPG5sRwycd22LVP5gt9MM9dichEn_j5msBe-8X-BA 1265
theodore/scripts/jmol_MOs.py sha256=7TWunFLJ412HDlnUu0xoxK3ckmPUyjVSVFNf-vBptT4 11501
theodore/scripts/jmol_vibs.py sha256=mM1GTBTIftO7k-4vhm9JArww_WQxC1X_UsoAMY7NZrQ 4538
theodore/scripts/parse_libwfa.py sha256=LAP0vWtDRMCZ4usPyoPQefR9MtiATbkf4XTS9BSgfB8 1850
theodore/scripts/plot_OmFrag.py sha256=Vsj_uSGTavXY2xwpuC7qP1ZZL6lGpY7fGsAtVux6VNE 8039
theodore/scripts/plot_Om_bars.py sha256=QIHwILuCzA_u7s0Qkw5jYxDiydaL2KVBpvhvz4-Qa2E 8976
theodore/scripts/plot_VIST.py sha256=CtrNTbcMCJeY71B7heozhYQL5VzfvjuUDcGv6EvQ46Y 2801
theodore/scripts/plot_frag_decomp.py sha256=PBXWHUFZZo9Ag3SQFe-7IyWOkrPq_dlORY8DHpBw2ao 3645
theodore/scripts/plot_graph.py sha256=JzSucbsv0bufQn4547Dz-RpP3kYGQ-RGx7rh08z4u7o 871
theodore/scripts/plot_graph_nx.py sha256=WIp0-WhUwLMiB1I3ypDxxxHr2gYZEqgU1girOKmkqdA 5219
theodore/scripts/spectrum.py sha256=R_BfYMzHAZyOsS4VKrNR-BJHUTh47TPZ3SbabGQlGZo 7219
theodore/scripts/tden_OV.py sha256=Hoa9n3kxhTruQodUtW_fUpFGFBCWDYLuCA8BDrSH76o 3745
theodore/scripts/theoinp.py sha256=CGY0AhKo5i9py8op79s8FPdxRDHNcBXVu7eN6nuZ1uM 19947
theodore/scripts/theotools.py sha256=9ukeBrYjv8oZ_FvyTRCBAR_cPyjkN5vQDVXvY9my8SI 1049
theodore/scripts/vmd_plots.py sha256=Sq4xISf7owpuiq4lYmQKqiSXrRZHG3OhQEqvRLjJiFs 8467
theodore-2.5.0.dist-info/LICENSE.txt sha256=jOtLnuWt7d5Hsx6XXB2QxzrSe2sWWh3NgMfFRetluQM 35147
theodore-2.5.0.dist-info/METADATA sha256=5YPHqNC9BBR9bNIyyFf1QdVV3lPOEf1mVLohvuql-_U 3410
theodore-2.5.0.dist-info/WHEEL sha256=OqRkF0eY5GHssMorFjlbTIq072vpHpF60fIQA6lS9xA 92
theodore-2.5.0.dist-info/entry_points.txt sha256=-5G6ipnU8_Rp-zaD7FeIEQTH0DAMu29Kxedm90jGDa0 43
theodore-2.5.0.dist-info/top_level.txt sha256=9R_lGv385wZafi0tFV_lYRFclan_bSs3kI2quhEqVT8 9
theodore-2.5.0.dist-info/RECORD — —

top_level.txt

theodore

entry_points.txt

[console_scripts]
theodore = theodore:run