| Index | index by Group | index by Distribution | index by Vendor | index by creation date | index by Name | Mirrors | Help | Search |
| Name: python3-optking | Distribution: Fedora Project |
| Version: 0.3.0 | Vendor: Fedora Project |
| Release: 3.fc41 | Build date: Mon Sep 2 21:45:22 2024 |
| Group: Unspecified | Build host: buildvm-ppc64le-12.iad2.fedoraproject.org |
| Size: 1553259 | Source RPM: python-optking-0.3.0-3.fc41.src.rpm |
| Packager: Fedora Project | |
| Url: https://github.com/psi-rking/optking | |
| Summary: A Python version of the PSI4 geometry optimization program by R.A. King | |
optking (also known as pyoptking) is a rewrite of the c++ optking module in psi4. This rewrite was undertaken to enable future development and for use with recent interoperability efforts (e.g. MolSSI QCArchive and QCDB). optking is focused on optimization of molecular geometries: finding minima, transition states, and reaction paths. Current work is focused especially on expanding the reaction path methods.
BSD-3-Clause
* Mon Sep 02 2024 Susi Lehtola <[email protected]> - 0.3.0-3 - Removed explicit requires. * Mon Sep 02 2024 Susi Lehtola <[email protected]> - 0.3.0-2 - Review fixes. * Wed Aug 28 2024 Susi Lehtola <[email protected]> - 0.3.0-1 - First release.
/usr/lib/python3.13/site-packages/OptKing-0.3.0.dist-info /usr/lib/python3.13/site-packages/OptKing-0.3.0.dist-info/INSTALLER /usr/lib/python3.13/site-packages/OptKing-0.3.0.dist-info/LICENSE /usr/lib/python3.13/site-packages/OptKing-0.3.0.dist-info/METADATA /usr/lib/python3.13/site-packages/OptKing-0.3.0.dist-info/WHEEL /usr/lib/python3.13/site-packages/OptKing-0.3.0.dist-info/top_level.txt /usr/lib/python3.13/site-packages/optking /usr/lib/python3.13/site-packages/optking/IRCdata.py /usr/lib/python3.13/site-packages/optking/IRCfollowing.py /usr/lib/python3.13/site-packages/optking/__init__.py /usr/lib/python3.13/site-packages/optking/__pycache__ /usr/lib/python3.13/site-packages/optking/__pycache__/IRCdata.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/IRCdata.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/IRCfollowing.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/IRCfollowing.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/__init__.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/__init__.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/_version.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/_version.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/addIntcos.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/addIntcos.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/bend.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/bend.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/cart.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/cart.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/caseInsensitiveDict.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/caseInsensitiveDict.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/compute_wrappers.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/compute_wrappers.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/convcheck.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/convcheck.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/dimerfrag.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/dimerfrag.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/displace.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/displace.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/exceptions.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/exceptions.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/frag.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/frag.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/hessian.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/hessian.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/history.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/history.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/intcosMisc.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/intcosMisc.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/linearAlgebra.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/linearAlgebra.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/linesearch.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/linesearch.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/lj_functions.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/lj_functions.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/loggingconfig.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/loggingconfig.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/misc.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/misc.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/molsys.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/molsys.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/oofp.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/oofp.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/opt_helper.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/opt_helper.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/optimize.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/optimize.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/optparams.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/optparams.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/optwrapper.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/optwrapper.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/orient.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/orient.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/printTools.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/printTools.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/simple.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/simple.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/stepAlgorithms.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/stepAlgorithms.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/stre.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/stre.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/testB.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/testB.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/tors.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/tors.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/v3d.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/__pycache__/v3d.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/_version.py /usr/lib/python3.13/site-packages/optking/addIntcos.py /usr/lib/python3.13/site-packages/optking/bend.py /usr/lib/python3.13/site-packages/optking/cart.py /usr/lib/python3.13/site-packages/optking/caseInsensitiveDict.py /usr/lib/python3.13/site-packages/optking/compute_wrappers.py /usr/lib/python3.13/site-packages/optking/convcheck.py /usr/lib/python3.13/site-packages/optking/dimerfrag.py /usr/lib/python3.13/site-packages/optking/displace.py /usr/lib/python3.13/site-packages/optking/exceptions.py /usr/lib/python3.13/site-packages/optking/frag.py /usr/lib/python3.13/site-packages/optking/hessian.py /usr/lib/python3.13/site-packages/optking/history.py /usr/lib/python3.13/site-packages/optking/intcosMisc.py /usr/lib/python3.13/site-packages/optking/linearAlgebra.py /usr/lib/python3.13/site-packages/optking/linesearch.py /usr/lib/python3.13/site-packages/optking/lj_functions.py /usr/lib/python3.13/site-packages/optking/loggingconfig.py /usr/lib/python3.13/site-packages/optking/misc.py /usr/lib/python3.13/site-packages/optking/molsys.py /usr/lib/python3.13/site-packages/optking/oofp.py /usr/lib/python3.13/site-packages/optking/opt_helper.py /usr/lib/python3.13/site-packages/optking/optimize.py /usr/lib/python3.13/site-packages/optking/optparams.py /usr/lib/python3.13/site-packages/optking/optwrapper.py /usr/lib/python3.13/site-packages/optking/orient.py /usr/lib/python3.13/site-packages/optking/printTools.py /usr/lib/python3.13/site-packages/optking/simple.py /usr/lib/python3.13/site-packages/optking/stepAlgorithms.py /usr/lib/python3.13/site-packages/optking/stre.py /usr/lib/python3.13/site-packages/optking/testB.py /usr/lib/python3.13/site-packages/optking/tests /usr/lib/python3.13/site-packages/optking/tests/__init__.py /usr/lib/python3.13/site-packages/optking/tests/__pycache__ /usr/lib/python3.13/site-packages/optking/tests/__pycache__/__init__.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/__init__.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/conftest.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/conftest.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/psi4_helper.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/psi4_helper.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_2_hessians.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_2_hessians.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_atom.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_atom.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_atom_stepwise.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_atom_stepwise.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_auxiliary_bonds.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_auxiliary_bonds.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_ccsd_g_opt.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_ccsd_g_opt.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_conjugate.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_conjugate.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_dcft_g_opt.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_dcft_g_opt.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_deriv_transforms.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_deriv_transforms.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_dimers_Bmat.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_dimers_Bmat.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_dimers_benzene_pes.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_dimers_benzene_pes.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_dimers_h2o.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_dimers_h2o.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_dimers_mt_tyr_Rscan.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_dimers_mt_tyr_Rscan.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_dimers_mt_tyr_frozen_orientation.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_dimers_mt_tyr_frozen_orientation.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_dimers_ne2.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_dimers_ne2.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_dimers_orient.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_dimers_orient.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_frozen_cart_and_backstep.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_frozen_cart_and_backstep.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_frozen_internals.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_frozen_internals.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_g_convergence.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_g_convergence.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_hbond.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_hbond.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_hf_g_keywords.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_hf_g_keywords.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_hf_g_opt.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_hf_g_opt.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_hooh_ext_force.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_hooh_ext_force.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_irc_hooh.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_irc_hooh.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_jsoninput.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_jsoninput.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_linesearch.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_linesearch.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_lj.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_lj.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_methimazole.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_methimazole.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_mp2_g_opt.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_mp2_g_opt.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_nearlinear_dft_opt.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_nearlinear_dft_opt.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_oofp.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_oofp.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_openshell.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_openshell.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_opt2_allene.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_opt2_allene.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_opt5-ch2.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_opt5-ch2.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_opthelper.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_opthelper.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_optimization_input.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_optimization_input.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_ranged_internals.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_ranged_internals.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_scsmp2_opt.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_scsmp2_opt.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_sf4_quasilinear.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_sf4_quasilinear.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_step_types.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_step_types.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_trimers_h2o.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_trimers_h2o.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_ts_opt.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/__pycache__/test_ts_opt.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/conftest.py /usr/lib/python3.13/site-packages/optking/tests/json_betapinene.json /usr/lib/python3.13/site-packages/optking/tests/json_h2o.json /usr/lib/python3.13/site-packages/optking/tests/json_hooh_frozen.json /usr/lib/python3.13/site-packages/optking/tests/json_lif_cp.json /usr/lib/python3.13/site-packages/optking/tests/json_lif_nocp.json /usr/lib/python3.13/site-packages/optking/tests/psi4_helper.py /usr/lib/python3.13/site-packages/optking/tests/psi4inputs /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/__init__.py /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/__pycache__ /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/__pycache__/__init__.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/__pycache__/__init__.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/psiAPIversions /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/psiAPIversions/__init__.py /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/psiAPIversions/__pycache__ /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/psiAPIversions/__pycache__/__init__.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/psiAPIversions/__pycache__/__init__.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/psiAPIversions/__pycache__/dimer-h2o-c6h6.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/psiAPIversions/__pycache__/dimer-h2o-c6h6.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/psiAPIversions/__pycache__/dimer-h2o.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/psiAPIversions/__pycache__/dimer-h2o.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/psiAPIversions/__pycache__/dimer-ne2.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/psiAPIversions/__pycache__/dimer-ne2.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/psiAPIversions/__pycache__/froz-dimer-h2o.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/psiAPIversions/__pycache__/froz-dimer-h2o.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/psiAPIversions/dimer-h2o-c6h6.py /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/psiAPIversions/dimer-h2o.py /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/psiAPIversions/dimer-ne2.py /usr/lib/python3.13/site-packages/optking/tests/psi4inputs/psiAPIversions/froz-dimer-h2o.py /usr/lib/python3.13/site-packages/optking/tests/test_2_hessians.py /usr/lib/python3.13/site-packages/optking/tests/test_atom.py /usr/lib/python3.13/site-packages/optking/tests/test_atom_stepwise.py /usr/lib/python3.13/site-packages/optking/tests/test_auxiliary_bonds.py /usr/lib/python3.13/site-packages/optking/tests/test_ccsd_g_opt.py /usr/lib/python3.13/site-packages/optking/tests/test_conjugate.py /usr/lib/python3.13/site-packages/optking/tests/test_dcft_g_opt.py /usr/lib/python3.13/site-packages/optking/tests/test_deriv_transforms.py /usr/lib/python3.13/site-packages/optking/tests/test_dimers_Bmat.py /usr/lib/python3.13/site-packages/optking/tests/test_dimers_benzene_pes.py /usr/lib/python3.13/site-packages/optking/tests/test_dimers_h2o.py /usr/lib/python3.13/site-packages/optking/tests/test_dimers_mt_tyr_Rscan.py /usr/lib/python3.13/site-packages/optking/tests/test_dimers_mt_tyr_frozen_orientation.py /usr/lib/python3.13/site-packages/optking/tests/test_dimers_ne2.py /usr/lib/python3.13/site-packages/optking/tests/test_dimers_orient.py /usr/lib/python3.13/site-packages/optking/tests/test_frozen_cart_and_backstep.py /usr/lib/python3.13/site-packages/optking/tests/test_frozen_internals.py /usr/lib/python3.13/site-packages/optking/tests/test_g_convergence.py /usr/lib/python3.13/site-packages/optking/tests/test_hbond.py /usr/lib/python3.13/site-packages/optking/tests/test_hf_g_keywords.py /usr/lib/python3.13/site-packages/optking/tests/test_hf_g_opt.py /usr/lib/python3.13/site-packages/optking/tests/test_hooh_ext_force.py /usr/lib/python3.13/site-packages/optking/tests/test_irc_hooh.py /usr/lib/python3.13/site-packages/optking/tests/test_jsoninput.py /usr/lib/python3.13/site-packages/optking/tests/test_linesearch.py /usr/lib/python3.13/site-packages/optking/tests/test_lj.py /usr/lib/python3.13/site-packages/optking/tests/test_methimazole.py /usr/lib/python3.13/site-packages/optking/tests/test_mp2_g_opt.py /usr/lib/python3.13/site-packages/optking/tests/test_nearlinear_dft_opt.py /usr/lib/python3.13/site-packages/optking/tests/test_oofp.py /usr/lib/python3.13/site-packages/optking/tests/test_openshell.py /usr/lib/python3.13/site-packages/optking/tests/test_opt2_allene.py /usr/lib/python3.13/site-packages/optking/tests/test_opt5-ch2.py /usr/lib/python3.13/site-packages/optking/tests/test_opthelper.py /usr/lib/python3.13/site-packages/optking/tests/test_optimization_input.py /usr/lib/python3.13/site-packages/optking/tests/test_ranged_internals.py /usr/lib/python3.13/site-packages/optking/tests/test_scsmp2_opt.py /usr/lib/python3.13/site-packages/optking/tests/test_sf4_quasilinear.py /usr/lib/python3.13/site-packages/optking/tests/test_step_types.py /usr/lib/python3.13/site-packages/optking/tests/test_trimers_h2o.py /usr/lib/python3.13/site-packages/optking/tests/test_ts_opt.py /usr/lib/python3.13/site-packages/optking/tests/utils /usr/lib/python3.13/site-packages/optking/tests/utils/__init__.py /usr/lib/python3.13/site-packages/optking/tests/utils/__pycache__ /usr/lib/python3.13/site-packages/optking/tests/utils/__pycache__/__init__.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/utils/__pycache__/__init__.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/utils/__pycache__/utils.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/optking/tests/utils/__pycache__/utils.cpython-313.pyc /usr/lib/python3.13/site-packages/optking/tests/utils/utils.py /usr/lib/python3.13/site-packages/optking/tors.py /usr/lib/python3.13/site-packages/optking/v3d.py /usr/share/doc/python3-optking /usr/share/doc/python3-optking/README.rst /usr/share/licenses/python3-optking /usr/share/licenses/python3-optking/LICENSE
Generated by rpm2html 1.8.1
Fabrice Bellet, Sun Oct 27 05:57:41 2024