Zoznam súborov balíka votca-xtp v aramo architektúry amd64
/usr/bin/xtp_autogen_mapping
/usr/bin/xtp_basisset
/usr/bin/xtp_makeauxbasis
/usr/bin/xtp_map
/usr/bin/xtp_parallel
/usr/bin/xtp_qmmm2qm
/usr/bin/xtp_run
/usr/bin/xtp_tools
/usr/bin/xtp_update_mapfile
/usr/share/doc/votca-xtp/changelog.Debian.gz
/usr/share/doc/votca-xtp/copyright
/usr/share/lintian/overrides/votca-xtp
/usr/share/man/man1/xtp_basisset.1.gz
/usr/share/man/man1/xtp_makeauxbasis.1.gz
/usr/share/man/man1/xtp_map.1.gz
/usr/share/man/man1/xtp_parallel.1.gz
/usr/share/man/man1/xtp_run.1.gz
/usr/share/man/man1/xtp_tools.1.gz
/usr/share/man/man1/xtp_update_mapfile.1.gz
/usr/share/votca/xtp/basis_sets/3-21G.xml
/usr/share/votca/xtp/basis_sets/6-311++G(2p,2d).xml
/usr/share/votca/xtp/basis_sets/6-311++G.xml
/usr/share/votca/xtp/basis_sets/6-311+G(2d,p).xml
/usr/share/votca/xtp/basis_sets/6-311+G**.xml
/usr/share/votca/xtp/basis_sets/6-311G.xml
/usr/share/votca/xtp/basis_sets/6-31G**.xml
/usr/share/votca/xtp/basis_sets/6-31G.xml
/usr/share/votca/xtp/basis_sets/Weigend_coulomb_fitting.xml
/usr/share/votca/xtp/basis_sets/ahlrichs_coulomb_fitting.xml
/usr/share/votca/xtp/basis_sets/aug-cc-pvdz.xml
/usr/share/votca/xtp/basis_sets/aug-cc-pvqz.xml
/usr/share/votca/xtp/basis_sets/aug-cc-pvtz.xml
/usr/share/votca/xtp/basis_sets/aux-aug-cc-pvdz.xml
/usr/share/votca/xtp/basis_sets/aux-aug-cc-pvqz.xml
/usr/share/votca/xtp/basis_sets/aux-aug-cc-pvtz.xml
/usr/share/votca/xtp/basis_sets/aux-cc-pv5z.xml
/usr/share/votca/xtp/basis_sets/aux-cc-pvdz.xml
/usr/share/votca/xtp/basis_sets/aux-cc-pvqz.xml
/usr/share/votca/xtp/basis_sets/aux-cc-pvtz.xml
/usr/share/votca/xtp/basis_sets/aux-def2-qzvp.xml
/usr/share/votca/xtp/basis_sets/aux-def2-qzvpp.xml
/usr/share/votca/xtp/basis_sets/aux-def2-qzvppd.xml
/usr/share/votca/xtp/basis_sets/aux-def2-sv(p).xml
/usr/share/votca/xtp/basis_sets/aux-def2-svp.xml
/usr/share/votca/xtp/basis_sets/aux-def2-svpd.xml
/usr/share/votca/xtp/basis_sets/aux-def2-tzvp.xml
/usr/share/votca/xtp/basis_sets/aux-def2-tzvpd.xml
/usr/share/votca/xtp/basis_sets/aux-def2-tzvpp.xml
/usr/share/votca/xtp/basis_sets/aux-def2-tzvppd.xml
/usr/share/votca/xtp/basis_sets/aux-ubecppol.xml
/usr/share/votca/xtp/basis_sets/aux-ubecppol_0.2.xml
/usr/share/votca/xtp/basis_sets/cc-pvdz.xml
/usr/share/votca/xtp/basis_sets/cc-pvqz.xml
/usr/share/votca/xtp/basis_sets/cc-pvtz.xml
/usr/share/votca/xtp/basis_sets/def2-qzvp-ecp.xml
/usr/share/votca/xtp/basis_sets/def2-qzvp.xml
/usr/share/votca/xtp/basis_sets/def2-qzvpd.xml
/usr/share/votca/xtp/basis_sets/def2-qzvpp-ecp.xml
/usr/share/votca/xtp/basis_sets/def2-qzvpp.xml
/usr/share/votca/xtp/basis_sets/def2-qzvppd.xml
/usr/share/votca/xtp/basis_sets/def2-sv(p).xml
/usr/share/votca/xtp/basis_sets/def2-svp.xml
/usr/share/votca/xtp/basis_sets/def2-svpd.xml
/usr/share/votca/xtp/basis_sets/def2-tzvp-ecp.xml
/usr/share/votca/xtp/basis_sets/def2-tzvp.xml
/usr/share/votca/xtp/basis_sets/def2-tzvpd.xml
/usr/share/votca/xtp/basis_sets/def2-tzvpp-ecp.xml
/usr/share/votca/xtp/basis_sets/def2-tzvpp.xml
/usr/share/votca/xtp/basis_sets/def2-tzvppd.xml
/usr/share/votca/xtp/basis_sets/optaux-aug-cc-pvdz.xml
/usr/share/votca/xtp/basis_sets/optaux-aug-cc-pvqz.xml
/usr/share/votca/xtp/basis_sets/optaux-aug-cc-pvtz.xml
/usr/share/votca/xtp/basis_sets/ubecp.xml
/usr/share/votca/xtp/basis_sets/ubecppol.xml
/usr/share/votca/xtp/basis_sets/ubecppoldiff.xml
/usr/share/votca/xtp/basis_sets/ubecppoldiff_s.xml
/usr/share/votca/xtp/benchmark/dftgwbse.xml
/usr/share/votca/xtp/benchmark/gwbse.xml
/usr/share/votca/xtp/benchmark/xtp_benchmark
/usr/share/votca/xtp/benchmark/xtpdft.xml
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aldehydes_ketones_and_amides/acetamide.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aldehydes_ketones_and_amides/acetone.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aldehydes_ketones_and_amides/benzoquinone.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aldehydes_ketones_and_amides/formaldehyde.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aldehydes_ketones_and_amides/formamide.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aldehydes_ketones_and_amides/propanamide.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/benzene.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/furan.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/imidazole.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/naphthalene.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrazine.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyridazine.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyridine.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrimidine.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrrole.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/tetrazine.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/triazine.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/nucleobases/adenine.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/nucleobases/cytosine.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/nucleobases/thymine.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/nucleobases/uracil.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/butadiene.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/cyclopentadiene.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/cyclopropene.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/ethene.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/hexatriene.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/norbornadiene.xyz
/usr/share/votca/xtp/benchmark/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/octatetraene.xyz
/usr/share/votca/xtp/data/orca_functional_names.xml
/usr/share/votca/xtp/data/qmpackage_defaults.xml
/usr/share/votca/xtp/ecps/CRENBL_ECP.xml
/usr/share/votca/xtp/ecps/ECP2SDF.xml
/usr/share/votca/xtp/ecps/SBKJC_ECP.xml
/usr/share/votca/xtp/ecps/corelevels.xml
/usr/share/votca/xtp/ecps/def2-ecp.xml
/usr/share/votca/xtp/ecps/ecp.xml
/usr/share/votca/xtp/xml/apdft.xml
/usr/share/votca/xtp/xml/coupling.xml
/usr/share/votca/xtp/xml/densityanalysis.xml
/usr/share/votca/xtp/xml/dftgwbse.xml
/usr/share/votca/xtp/xml/eanalyze.xml
/usr/share/votca/xtp/xml/einternal.xml
/usr/share/votca/xtp/xml/eqm.xml
/usr/share/votca/xtp/xml/excitoncoupling.xml
/usr/share/votca/xtp/xml/gencube.xml
/usr/share/votca/xtp/xml/ianalyze.xml
/usr/share/votca/xtp/xml/iexcitoncl.xml
/usr/share/votca/xtp/xml/iqm.xml
/usr/share/votca/xtp/xml/kmclifetime.xml
/usr/share/votca/xtp/xml/kmcmultiple.xml
/usr/share/votca/xtp/xml/log2mps.xml
/usr/share/votca/xtp/xml/mapchecker.xml
/usr/share/votca/xtp/xml/mol2orb.xml
/usr/share/votca/xtp/xml/molpol.xml
/usr/share/votca/xtp/xml/neighborlist.xml
/usr/share/votca/xtp/xml/orb2mol.xml
/usr/share/votca/xtp/xml/partialcharges.xml
/usr/share/votca/xtp/xml/qmmm.xml
/usr/share/votca/xtp/xml/spectrum.xml
/usr/share/votca/xtp/xml/vaverage.xml