tscode/TEST_NOTEBOOK.ipynb,sha256=F8ATE5a6-ZCNnzJSSlHDRMjO9igz3MQ9YUzPyM0Zeog,21488
tscode/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
tscode/__main__.py,sha256=MF77wKyVxYi5giqOSvO5lAhumVCA8WDO_94o42gwop4,5068
tscode/algebra.py,sha256=nSwu27tTrlCip5DHbHaYIEGZhKuytnSw7htQ8Xt2-rM,12540
tscode/ase_manipulations.py,sha256=psWsrky_r2h99QnRFFaD-GEzk4JwgaLIwlTPXcz0Bwo,33300
tscode/atropisomer_module.py,sha256=4J_n1Tv2worgSfWRbr8WmXlYuEW_XqG3q5pb_fwTlgY,16451
tscode/automep.py,sha256=OH505YY7_hJsShymkrvjT10JYkwTFOUZiYQjVEOerWk,3470
tscode/concurrent_test.py,sha256=CooCyPfcb45TEZfKxKJsMPbBfVG3WbGJMfGzcn3zXk8,3972
tscode/dispy_test.py,sha256=S9F0TvCQyYxyPm5i_PCfOHUwZ_a6nbRbWCUa2M7E6Qk,1456
tscode/docker.py,sha256=IMhDfAVfP1alzzXW_--2Vxo4g20KwYZrEJc_RAOw6SE,10838
tscode/embedder.py,sha256=1xEF5HN094Fskg4lYSb0EgYE6UB8z6bc7mRaK7O6Q_s,40479
tscode/embedder_options.py,sha256=HP1lX95aTg4i-hHW_uiZvv0aWiPuTRElDVdnMwLNQpw,22559
tscode/embeds.py,sha256=akHtUQr-L2FPl7Za7lCg_ls3H83HQdZaolr0ayhIw9g,46291
tscode/errors.py,sha256=bxwPy3hfAPW10WPKkAiU7F0oRTeFEJStQj4hKBudFSQ,1450
tscode/graph_manipulations.py,sha256=mlwnGZQnk9zK6jFZ_j6PKZbdCaat9mY7M2OUi5YQkuE,10222
tscode/hypermolecule_class.py,sha256=XwP5eirvKFM5mT-4NDeaxHEGX-wU0KptXd59I4oRasU,14954
tscode/mep_relaxer.py,sha256=rgfULXX2i5iFfiqif8VuaQGziGJ18hL5UZss1-ipyvo,7029
tscode/modify_settings.py,sha256=2je7sN2bX9ruOnCOQN6Fb0I2dKDlfR-1Cz8ZecLy4Ho,7412
tscode/mprof.py,sha256=2ZQVTq59EWBHjAuMoo8eT4GTzjkyZEnd4LXMY_cV4-g,1900
tscode/multiembed.py,sha256=IBpp-tD4pUyHEr877QrpNi6ZFQUD8jr3iueRvPQh8-A,5374
tscode/nci.py,sha256=RregePTgZDJy1zghZb8_nPuwECJzT4CBd2z1_Osv6pI,5956
tscode/operators.py,sha256=3COtJJaOTw80N-SGIJ3Z7CnbBcjsFfJLC2JELGdI50Y,28451
tscode/optimization_methods.py,sha256=i7JkLeN8KZas5ikyg1VN4Z4ag6I3adHcFelquIpUZKg,28611
tscode/parameters.py,sha256=eLUotZObVNqMPixEG1gYNuRO1hd5RUd6kS1mMSmN-wM,2263
tscode/pka.py,sha256=eQ0hSOyA9OQlf0rlyMYvq2lN58N37ZIJxaN69PNJxLE,10939
tscode/profiler.py,sha256=Kmu2EjUSKfJ79uYl7XemQmcKI6qbwLvyfaPzMN3yJl0,548
tscode/pt.py,sha256=AVxJjzhdf8IbiZJ8PobWyr6HyiWHDr7rJkocl_UXv_8,721
tscode/python_functions.py,sha256=iS3xPIwu8EyZCTeknDo_fRzhGFHSvpVpLOv6lded_UE,12351
tscode/quotes.json,sha256=8zLZ-6L2uSf8zGS4eDRMtwT994JvYp5ypebq05pok8Y,221347
tscode/quotes.py,sha256=JoDk6BErC6tTXunizkYydpYLcId7we61asXruRvFANQ,201639
tscode/reactive_atoms_classes.py,sha256=IaT0lFWHX3MJPoMXp5Nem9KgEm85vSJbpBg0tZgfRm8,25685
tscode/run.py,sha256=NVXoMa6UlKatJL04mRs6J7IVpJXu7p3BJwOvyvp7v4g,74842
tscode/settings.py,sha256=MXXJ_iKxRNIOHCRJqD1lizL5HJs41W-JelaCBsx_JLo,2200
tscode/solvents.py,sha256=iwtRucB_zVOpUmawVrKtspYLb6qCh1MB2MmE7GIUOlk,3066
tscode/tests.py,sha256=HE93Gt8IaVFr6Mtn9epT_uguDBMcnrOZ_UUyBnrYVRo,5274
tscode/torsion_module.py,sha256=_kiUddqbypCuYBIjHKlzzpseniYBB6ZNlVDEY5iNu-4,45538
tscode/utils.py,sha256=4wtE-9zRQhD4Dz1i1_qaf6EbAbgJtPLTcUk764rvmB8,14504
tscode/calculators/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
tscode/calculators/_gaussian.py,sha256=S9RGLpWT5ab3UulK-oOsmmOoOAYavX2CwN7DNBuaJJI,3052
tscode/calculators/_mopac.py,sha256=_PDA5Rkzea_cn3UJissHrWqYobaD8ctT379JWLuxmEY,9505
tscode/calculators/_openbabel.py,sha256=4VS9L9PXuVuGsMIOCin_eLgNmqKbtAMwVJHzPMASD_4,5952
tscode/calculators/_orca.py,sha256=tfq1vZpDQ55vrX88bOL36MzjerHMAW__75bseilrGXw,3675
tscode/calculators/_xtb.py,sha256=9Btdpr4LpC70QRO9MZb58ekB_H3EZ3kb5bupdwxYeUk,23738
tscode/tests/C2F2H4.xyz,sha256=VDZJ9LtD3ORSKRRukSf7NN1mQAMt7lr63dFO-Dx-GqY,419
tscode/tests/C2H4.xyz,sha256=U8dWjjb3Tj7vd0vAq9gEJY_0htkrkJCraEOVNYmdfC0,302
tscode/tests/CH3Cl.xyz,sha256=PNudbEEkR_8HOCA5LFXj5tSxaqF64pMpvDKM1FIeTuw,253
tscode/tests/HCOOH.xyz,sha256=z2QuTIbs6oa4tbncJIj3YcjkeFb4W0N0ByfdLzPyWM8,253
tscode/tests/HCOOOH.xyz,sha256=lJ2yAT_fPNTpiMqzXtZci35sl0cVeyA7W_NTXy-Yhn0,331
tscode/tests/chelotropic.txt,sha256=dqNHpd_fPIcW0UwLdTEl-CYQqXOoe3ggcjV4DYRVlO8,54
tscode/tests/cyclical.txt,sha256=wnuJR40O-yzPVGEFptdxDCPKCtycoVX3SD7ab1iDaJo,60
tscode/tests/dihedral.txt,sha256=Qzqi-8skniJLd4TadTZse4dz_ks7FCpxLjpf_k5zeWU,29
tscode/tests/string.txt,sha256=YQ5FuxxMHJOy82HZJ7JbCvvlMZRUBTYUng33DYUerkY,54
tscode/tests/trimolecular.txt,sha256=HtWq73VW2T8OFb2X_zJg5oc4jSr38dcDlvCyYcleB2Q,212
tscode-0.4.0.dist-info/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
tscode-0.4.0.dist-info/METADATA,sha256=95XwaPnojn51iak9eDkSkwp75elykak9QVT3J_hMSuE,16008
tscode-0.4.0.dist-info/WHEEL,sha256=yQN5g4mg4AybRjkgi-9yy4iQEFibGQmlz78Pik5Or-A,92
tscode-0.4.0.dist-info/top_level.txt,sha256=6j9e97guEGlk3YdUMOUlDUFvJ_Dn1cOy7uFoTXL7uD8,7
tscode-0.4.0.dist-info/RECORD,,
