psi4 1:1.1-5 / usr / lib

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/usr/lib/psi4/ root:root 0o755
/usr/lib/psi4/__init__.py text/x-python root:root 0o644 3.2 KB
/usr/lib/psi4/__pycache__/ root:root 0o755
/usr/lib/psi4/core.so application/x-sharedlib root:root 0o644 24.9 MB
/usr/lib/psi4/driver/ root:root 0o755
/usr/lib/psi4/driver/__init__.py text/x-python root:root 0o644 1.6 KB
/usr/lib/psi4/driver/__pycache__/ root:root 0o755
/usr/lib/psi4/driver/aliases.py text/x-python root:root 0o644 7.4 KB
/usr/lib/psi4/driver/constants/ root:root 0o755
/usr/lib/psi4/driver/constants/__init__.py text/x-python root:root 0o644 963 bytes
/usr/lib/psi4/driver/constants/__pycache__/ root:root 0o755
/usr/lib/psi4/driver/constants/physconst.py text/plain root:root 0o644 3.5 KB
/usr/lib/psi4/driver/constants/psifiles.py text/plain root:root 0o644 10.5 KB
/usr/lib/psi4/driver/dependency_check.py text/x-python root:root 0o644 1.5 KB
/usr/lib/psi4/driver/diatomic.py text/x-python root:root 0o644 10.7 KB
/usr/lib/psi4/driver/procrouting/mcscf/ root:root 0o755
/usr/lib/psi4/driver/driver.py text/x-python root:root 0o644 108.0 KB
/usr/lib/psi4/driver/driver_cbs.py text/x-python root:root 0o644 70.4 KB
/usr/lib/psi4/driver/driver_nbody.py text/x-python root:root 0o644 18.7 KB
/usr/lib/psi4/driver/driver_util.py text/x-python root:root 0o644 10.3 KB
/usr/lib/psi4/driver/endorsed_plugins.py text/x-python root:root 0o644 1.0 KB
/usr/lib/psi4/driver/frac.py text/x-python root:root 0o644 21.4 KB
/usr/lib/psi4/driver/gaussian_n.py text/x-python root:root 0o644 7.0 KB
/usr/lib/psi4/driver/inputparser.py text/x-python root:root 0o644 30.5 KB
/usr/lib/psi4/driver/interactive.py text/x-objective-c root:root 0o644 1.2 KB
/usr/lib/psi4/driver/json_wrapper.py text/x-python root:root 0o644 6.5 KB
/usr/lib/psi4/driver/molutil.py text/x-python root:root 0o644 9.5 KB
/usr/lib/psi4/driver/p4util/ root:root 0o755
/usr/lib/psi4/driver/p4util/__init__.py text/x-python root:root 0o644 1.1 KB
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/usr/lib/psi4/driver/p4util/exceptions.py text/x-c++ root:root 0o644 5.5 KB
/usr/lib/psi4/driver/p4util/inpsight.py text/x-c++ root:root 0o644 22.7 KB
/usr/lib/psi4/driver/p4util/numpy_helper.py text/x-c++ root:root 0o644 16.5 KB
/usr/lib/psi4/driver/p4util/optproc.py text/x-c++ root:root 0o644 4.6 KB
/usr/lib/psi4/driver/p4util/p4regex.py text/x-python root:root 0o644 1.2 KB
/usr/lib/psi4/driver/p4util/procutil.py text/x-python root:root 0o644 16.4 KB
/usr/lib/psi4/driver/p4util/python_helpers.py text/x-python root:root 0o644 9.2 KB
/usr/lib/psi4/driver/p4util/text.py text/x-c++ root:root 0o644 6.8 KB
/usr/lib/psi4/driver/p4util/util.py text/x-python root:root 0o644 20.2 KB
/usr/lib/psi4/driver/plugin.py text/x-python root:root 0o644 5.6 KB
/usr/lib/psi4/driver/procrouting/ root:root 0o755
/usr/lib/psi4/driver/procrouting/__init__.py text/x-python root:root 0o644 1.1 KB
/usr/lib/psi4/driver/procrouting/__pycache__/ root:root 0o755
/usr/lib/psi4/driver/procrouting/dft_functional.py text/x-python root:root 0o644 96.3 KB
/usr/lib/psi4/driver/procrouting/empirical_dispersion.py text/x-c++ root:root 0o644 9.2 KB
/usr/lib/psi4/driver/procrouting/findif_response_utils/ root:root 0o755
/usr/lib/psi4/driver/procrouting/findif_response_utils/__init__.py text/x-python root:root 0o644 1.2 KB
/usr/lib/psi4/driver/procrouting/findif_response_utils/__pycache__/ root:root 0o755
/usr/lib/psi4/driver/procrouting/findif_response_utils/data_collection_helper.py text/x-python root:root 0o644 4.2 KB
/usr/lib/psi4/driver/procrouting/findif_response_utils/db_helper.py text/x-python root:root 0o644 6.1 KB
/usr/lib/psi4/driver/procrouting/interface_cfour.py text/x-python root:root 0o644 18.5 KB
/usr/lib/psi4/driver/procrouting/mcscf/__init__.py text/x-python root:root 0o644 953 bytes
/usr/lib/psi4/driver/procrouting/mcscf/__pycache__/ root:root 0o755
/usr/lib/psi4/driver/procrouting/mcscf/augmented_hessian.py text/x-python root:root 0o644 5.7 KB
/usr/lib/psi4/driver/procrouting/mcscf/diis_helper.py text/x-c++ root:root 0o644 3.2 KB
/usr/lib/psi4/driver/procrouting/mcscf/mcscf_solver.py text/x-python root:root 0o644 13.4 KB
/usr/lib/psi4/driver/procrouting/proc.py text/x-python root:root 0o644 146.3 KB
/usr/lib/psi4/driver/procrouting/proc_table.py text/x-python root:root 0o644 10.0 KB
/usr/lib/psi4/driver/procrouting/proc_util.py text/x-python root:root 0o644 7.8 KB
/usr/lib/psi4/driver/procrouting/roa.py text/x-python root:root 0o644 6.4 KB
/usr/lib/psi4/driver/procrouting/wrappers_cfour.py text/x-python root:root 0o644 35.6 KB
/usr/lib/psi4/driver/pubchem.py text/x-c++ root:root 0o644 7.5 KB
/usr/lib/psi4/driver/qcdb/ root:root 0o755
/usr/lib/psi4/driver/qcdb/__init__.py text/x-python root:root 0o644 1.8 KB
/usr/lib/psi4/driver/qcdb/__pycache__/ root:root 0o755
/usr/lib/psi4/driver/qcdb/basislist.py text/x-c++ root:root 0o644 8.1 KB
/usr/lib/psi4/driver/qcdb/basislistdunning.py text/x-python root:root 0o644 32.3 KB
/usr/lib/psi4/driver/qcdb/basislistother.py text/x-python root:root 0o644 22.7 KB
/usr/lib/psi4/driver/qcdb/cfour.py text/x-python root:root 0o644 45.0 KB
/usr/lib/psi4/driver/qcdb/cov_radii.py text/plain root:root 0o644 5.2 KB
/usr/lib/psi4/driver/qcdb/dashparam.py text/x-python root:root 0o644 15.7 KB
/usr/lib/psi4/driver/qcdb/dbproc.py text/x-python root:root 0o644 3.8 KB
/usr/lib/psi4/driver/qcdb/dbwrap.py text/x-python root:root 0o644 170.6 KB
/usr/lib/psi4/driver/qcdb/exceptions.py text/x-c++ root:root 0o644 3.6 KB
/usr/lib/psi4/driver/qcdb/interface_dftd3.py text/x-python root:root 0o644 10.1 KB
/usr/lib/psi4/driver/qcdb/interface_gcp.py text/x-python root:root 0o644 11.6 KB
/usr/lib/psi4/driver/qcdb/tests/mints5/ root:root 0o755
/usr/lib/psi4/driver/qcdb/jajo.py text/x-python root:root 0o644 17.6 KB
/usr/lib/psi4/driver/qcdb/libmintsbasisset.py text/x-c++ root:root 0o644 57.6 KB
/usr/lib/psi4/driver/qcdb/libmintsbasissetparser.py text/x-c++ root:root 0o644 12.5 KB
/usr/lib/psi4/driver/qcdb/libmintscoordentry.py text/x-c++ root:root 0o644 24.0 KB
/usr/lib/psi4/driver/qcdb/libmintsgshell.py text/x-c++ root:root 0o644 14.2 KB
/usr/lib/psi4/driver/qcdb/libmintsmolecule.py text/x-c++ root:root 0o644 121.7 KB
/usr/lib/psi4/driver/qcdb/libmintspointgrp.py text/x-c++ root:root 0o644 57.0 KB
/usr/lib/psi4/driver/qcdb/modelchems.py text/x-c++ root:root 0o644 29.9 KB
/usr/lib/psi4/driver/qcdb/molecule.py text/x-objective-c root:root 0o644 47.9 KB
/usr/lib/psi4/driver/qcdb/molpro.py text/x-c++ root:root 0o644 13.7 KB
/usr/lib/psi4/driver/qcdb/molpro2.py text/x-python root:root 0o644 26.9 KB
/usr/lib/psi4/driver/qcdb/molpro_basissets.py text/plain root:root 0o644 192.2 KB
/usr/lib/psi4/driver/qcdb/mpl.py text/x-objective-c root:root 0o644 52.9 KB
/usr/lib/psi4/driver/qcdb/oldpymodules.py text/x-c++ root:root 0o644 8.8 KB
/usr/lib/psi4/driver/qcdb/options.py text/x-python root:root 0o644 10.5 KB
/usr/lib/psi4/driver/qcdb/orca.py text/x-python root:root 0o644 12.8 KB
/usr/lib/psi4/driver/qcdb/orient.py text/x-objective-c root:root 0o644 18.1 KB
/usr/lib/psi4/driver/qcdb/p4regex.py text/x-python root:root 0o644 1.3 KB
/usr/lib/psi4/driver/qcdb/parker.py text/x-python root:root 0o644 6.2 KB
/usr/lib/psi4/driver/qcdb/pdict.py text/x-c++ root:root 0o644 4.4 KB
/usr/lib/psi4/driver/qcdb/periodictable.py text/plain root:root 0o644 76.4 KB
/usr/lib/psi4/driver/qcdb/physconst.py text/plain root:root 0o644 3.3 KB
/usr/lib/psi4/driver/qcdb/psi4.py text/x-objective-c root:root 0o644 12.4 KB
/usr/lib/psi4/driver/qcdb/psiutil.py text/x-python root:root 0o644 8.0 KB
/usr/lib/psi4/driver/qcdb/psivardefs.py text/x-python root:root 0o644 14.4 KB
/usr/lib/psi4/driver/qcdb/psivarrosetta.py text/plain root:root 0o644 18.0 KB
/usr/lib/psi4/driver/qcdb/qcformat.py text/x-c++ root:root 0o644 4.1 KB
/usr/lib/psi4/driver/util/tty/__pycache__/ root:root 0o755
/usr/lib/psi4/driver/qcdb/qchem.py text/x-objective-c root:root 0o644 18.0 KB
/usr/lib/psi4/driver/qcdb/subsetgenerator.py text/x-python root:root 0o644 4.2 KB
/usr/lib/psi4/driver/qcdb/tests/ root:root 0o755
/usr/lib/psi4/driver/qcdb/tests/litdb1/ root:root 0o755
/usr/lib/psi4/driver/qcdb/tests/litdb1/mard_data.py text/x-python root:root 0o644 4.9 KB
/usr/lib/psi4/driver/qcdb/tests/mints1/ root:root 0o755
/usr/lib/psi4/driver/qcdb/tests/mints4/ root:root 0o755
/usr/lib/psi4/driver/qcdb/tests/orient1/ root:root 0o755
/usr/lib/psi4/driver/qcdb/tests/scf4/ root:root 0o755
/usr/lib/psi4/driver/qcdb/textables.py text/x-tex root:root 0o644 18.3 KB
/usr/lib/psi4/driver/qcdb/vecutil.py text/x-python root:root 0o644 11.0 KB
/usr/lib/psi4/driver/qmmm.py text/x-c++ root:root 0o644 5.4 KB
/usr/lib/psi4/driver/util/ root:root 0o755
/usr/lib/psi4/driver/util/__init__.py text/plain root:root 0o644 913 bytes
/usr/lib/psi4/driver/util/__pycache__/ root:root 0o755
/usr/lib/psi4/driver/util/filesystem.py text/x-python root:root 0o644 1.2 KB
/usr/lib/psi4/driver/util/tty/ root:root 0o755
/usr/lib/psi4/driver/util/tty/__init__.py text/x-python root:root 0o644 4.1 KB
/usr/lib/psi4/driver/util/tty/color.py text/x-c++ root:root 0o644 7.0 KB
/usr/lib/psi4/driver/wrapper_autofrag.py text/x-python root:root 0o644 5.1 KB
/usr/lib/psi4/driver/wrapper_database.py text/x-python root:root 0o644 34.4 KB
/usr/lib/psi4/extras.py text/x-python root:root 0o644 4.0 KB
/usr/lib/psi4/header.py text/x-python root:root 0o644 2.6 KB
/usr/lib/psi4/metadata.py text/plain root:root 0o644 1.1 KB
/usr/lib/psi4/tests/ root:root 0o755
/usr/lib/psi4/tests/conftest.py text/x-python root:root 0o644 736 bytes
/usr/lib/psi4/tests/test_aaa_profiling.py text/x-python root:root 0o644 1.7 KB
/usr/lib/psi4/tests/test_addons.py text/plain root:root 0o644 32.0 KB
/usr/lib/psi4/tests/test_psi4.py text/plain root:root 0o644 8.5 KB

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