packagesPaketin python3-optking tiedostoluettelo jakelussa stonking arkkitehtuurilla all
/usr/lib/python3/dist-packages/optking-0.5.0.dist-info/INSTALLER /usr/lib/python3/dist-packages/optking-0.5.0.dist-info/METADATA /usr/lib/python3/dist-packages/optking-0.5.0.dist-info/top_level.txt /usr/lib/python3/dist-packages/optking/IRCdata.py /usr/lib/python3/dist-packages/optking/IRCfollowing.py /usr/lib/python3/dist-packages/optking/__init__.py /usr/lib/python3/dist-packages/optking/_version.py /usr/lib/python3/dist-packages/optking/addIntcos.py /usr/lib/python3/dist-packages/optking/bend.py /usr/lib/python3/dist-packages/optking/cart.py /usr/lib/python3/dist-packages/optking/caseInsensitiveDict.py /usr/lib/python3/dist-packages/optking/compute_wrappers.py /usr/lib/python3/dist-packages/optking/convcheck.py /usr/lib/python3/dist-packages/optking/dimerfrag.py /usr/lib/python3/dist-packages/optking/displace.py /usr/lib/python3/dist-packages/optking/exceptions.py /usr/lib/python3/dist-packages/optking/frag.py /usr/lib/python3/dist-packages/optking/hessian.py /usr/lib/python3/dist-packages/optking/history.py /usr/lib/python3/dist-packages/optking/intcosMisc.py /usr/lib/python3/dist-packages/optking/linearAlgebra.py /usr/lib/python3/dist-packages/optking/linesearch.py /usr/lib/python3/dist-packages/optking/lj_functions.py /usr/lib/python3/dist-packages/optking/loggingconfig.py /usr/lib/python3/dist-packages/optking/misc.py /usr/lib/python3/dist-packages/optking/molsys.py /usr/lib/python3/dist-packages/optking/oofp.py /usr/lib/python3/dist-packages/optking/opt_helper.py /usr/lib/python3/dist-packages/optking/optimize.py /usr/lib/python3/dist-packages/optking/optwrapper.py /usr/lib/python3/dist-packages/optking/orient.py /usr/lib/python3/dist-packages/optking/printTools.py /usr/lib/python3/dist-packages/optking/simple.py /usr/lib/python3/dist-packages/optking/stepAlgorithms.py /usr/lib/python3/dist-packages/optking/stre.py /usr/lib/python3/dist-packages/optking/testB.py /usr/lib/python3/dist-packages/optking/tests/CH5_irc_coords.json /usr/lib/python3/dist-packages/optking/tests/__init__.py /usr/lib/python3/dist-packages/optking/tests/conftest.py /usr/lib/python3/dist-packages/optking/tests/json_betapinene.json /usr/lib/python3/dist-packages/optking/tests/json_betapinene.v2.json /usr/lib/python3/dist-packages/optking/tests/json_h2o.json /usr/lib/python3/dist-packages/optking/tests/json_h2o.v2.json /usr/lib/python3/dist-packages/optking/tests/json_hooh_frozen.json /usr/lib/python3/dist-packages/optking/tests/json_hooh_frozen.v2.json /usr/lib/python3/dist-packages/optking/tests/json_lif_cp.json /usr/lib/python3/dist-packages/optking/tests/json_lif_cp.v2.json /usr/lib/python3/dist-packages/optking/tests/json_lif_nocp.json /usr/lib/python3/dist-packages/optking/tests/json_lif_nocp.v2.json /usr/lib/python3/dist-packages/optking/tests/psi4_helper.py /usr/lib/python3/dist-packages/optking/tests/psi4inputs/__init__.py /usr/lib/python3/dist-packages/optking/tests/psi4inputs/psiAPIversions/__init__.py /usr/lib/python3/dist-packages/optking/tests/psi4inputs/psiAPIversions/dimer-h2o-c6h6.py /usr/lib/python3/dist-packages/optking/tests/psi4inputs/psiAPIversions/dimer-h2o.py /usr/lib/python3/dist-packages/optking/tests/psi4inputs/psiAPIversions/dimer-ne2.py /usr/lib/python3/dist-packages/optking/tests/psi4inputs/psiAPIversions/froz-dimer-h2o.py /usr/lib/python3/dist-packages/optking/tests/test_2_hessians.py /usr/lib/python3/dist-packages/optking/tests/test_atom.py /usr/lib/python3/dist-packages/optking/tests/test_atom_stepwise.py /usr/lib/python3/dist-packages/optking/tests/test_auxiliary_bonds.py /usr/lib/python3/dist-packages/optking/tests/test_ccsd_g_opt.py /usr/lib/python3/dist-packages/optking/tests/test_conjugate.py /usr/lib/python3/dist-packages/optking/tests/test_data/CH5_irc_ref.json /usr/lib/python3/dist-packages/optking/tests/test_data/irc_history.json /usr/lib/python3/dist-packages/optking/tests/test_data/opt_history.json /usr/lib/python3/dist-packages/optking/tests/test_dcft_g_opt.py /usr/lib/python3/dist-packages/optking/tests/test_deriv_transforms.py /usr/lib/python3/dist-packages/optking/tests/test_dimers_Bmat.py /usr/lib/python3/dist-packages/optking/tests/test_dimers_benzene_pes.py /usr/lib/python3/dist-packages/optking/tests/test_dimers_h2o.py /usr/lib/python3/dist-packages/optking/tests/test_dimers_mt_tyr_Rscan.py /usr/lib/python3/dist-packages/optking/tests/test_dimers_mt_tyr_frozen_orientation.py /usr/lib/python3/dist-packages/optking/tests/test_dimers_ne2.py /usr/lib/python3/dist-packages/optking/tests/test_dimers_orient.py /usr/lib/python3/dist-packages/optking/tests/test_frozen_cart_and_backstep.py /usr/lib/python3/dist-packages/optking/tests/test_frozen_internals.py /usr/lib/python3/dist-packages/optking/tests/test_g_convergence.py /usr/lib/python3/dist-packages/optking/tests/test_hbond.py /usr/lib/python3/dist-packages/optking/tests/test_hf_g_keywords.py /usr/lib/python3/dist-packages/optking/tests/test_hf_g_opt.py /usr/lib/python3/dist-packages/optking/tests/test_hooh_ext_force.py /usr/lib/python3/dist-packages/optking/tests/test_irc.py /usr/lib/python3/dist-packages/optking/tests/test_irc_hooh.py /usr/lib/python3/dist-packages/optking/tests/test_jsoninput.py /usr/lib/python3/dist-packages/optking/tests/test_linesearch.py /usr/lib/python3/dist-packages/optking/tests/test_lj.py /usr/lib/python3/dist-packages/optking/tests/test_methimazole.py /usr/lib/python3/dist-packages/optking/tests/test_mol_input.py /usr/lib/python3/dist-packages/optking/tests/test_mp2_g_opt.py /usr/lib/python3/dist-packages/optking/tests/test_nearlinear_dft_opt.py /usr/lib/python3/dist-packages/optking/tests/test_oofp.py /usr/lib/python3/dist-packages/optking/tests/test_openshell.py /usr/lib/python3/dist-packages/optking/tests/test_opt2_allene.py /usr/lib/python3/dist-packages/optking/tests/test_opt5-ch2.py /usr/lib/python3/dist-packages/optking/tests/test_opthelper.py /usr/lib/python3/dist-packages/optking/tests/test_optimization_input.py /usr/lib/python3/dist-packages/optking/tests/test_options.py /usr/lib/python3/dist-packages/optking/tests/test_ranged_internals.py /usr/lib/python3/dist-packages/optking/tests/test_scsmp2_opt.py /usr/lib/python3/dist-packages/optking/tests/test_sf4_quasilinear.py /usr/lib/python3/dist-packages/optking/tests/test_step_types.py /usr/lib/python3/dist-packages/optking/tests/test_trajectories.py /usr/lib/python3/dist-packages/optking/tests/test_trimers_h2o.py /usr/lib/python3/dist-packages/optking/tests/test_ts_opt.py /usr/lib/python3/dist-packages/optking/tests/test_validation.py /usr/lib/python3/dist-packages/optking/tests/utils/__init__.py /usr/lib/python3/dist-packages/optking/tests/utils/utils.py /usr/lib/python3/dist-packages/optking/tors.py /usr/lib/python3/dist-packages/optking/v1/optparams.py /usr/lib/python3/dist-packages/optking/v2/optparams.py /usr/lib/python3/dist-packages/optking/v3d.py /usr/share/doc/python3-optking/README.rst.gz /usr/share/doc/python3-optking/changelog.Debian.gz /usr/share/doc/python3-optking/copyright