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python-cclib/python-cclib.spec 38 38 license bsd-new
python-cclib/python-cclib.spec 38 38 license lgpl-2.0-plus
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/CHANGELOG 333 333 license lgpl-2.0-plus
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/CHANGELOG 506 506 license lgpl-2.0-plus
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/LICENSE 1 29 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/manifest.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/README.md 7 7 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/setup.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/setup.py 23 23 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/setup.py 43 43 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/__init__.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/bridge/__init__.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/bridge/cclib2ase.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/bridge/cclib2biopython.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/bridge/cclib2horton.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/bridge/cclib2openbabel.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/bridge/cclib2psi4.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/bridge/cclib2pyquante.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/bridge/cclib2pyscf.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/io/__init__.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/io/ccio.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/io/cjsonreader.py 5 6 license bsd-new
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python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/io/cmlwriter.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/io/filereader.py 5 6 license bsd-new
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python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/io/xyzreader.py 5 6 license bsd-new
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python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/method/__init__.py 5 6 license bsd-new
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python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/method/population.py 5 6 license bsd-new
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python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/method/volume.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/parser/__init__.py 5 6 license bsd-new
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python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/regression_download.sh 5 6 license bsd-new
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python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/method/testhirshfeld.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/method/testmbo.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/method/testmoments.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/method/testnuclear.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/method/testorbitals.py 6 7 license lgpl-2.0-plus
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/method/testorbitals.py 6 9 license gpl-2.0-plus
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python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/method/testpopulation.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/method/testvolume.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/parser/testdata.py 5 6 license bsd-new
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/parser/testlogfileparser.py 5 6 license bsd-new
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File Information
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python-cclib directory
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python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Gaussian/basicGaussian16 directory
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python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA directory
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1 directory
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/dvb_dispersion_bp86_d3zero.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/dvb_dispersion_bp86_d3zero.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/dvb_gopt.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/dvb_gopt.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/dvb_ir.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/dvb_ir.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/dvb_nmr.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/dvb_nmr.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/dvb_raman.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/dvb_raman.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/dvb_rocis.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/dvb_rocis.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/dvb_sp.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/dvb_sp.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/dvb_sp_un.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/dvb_sp_un.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/dvb_td.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/dvb_td.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/Trp_polar.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/Trp_polar.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/water_ccsd.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/water_ccsd.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/water_ccsd_t.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/water_ccsd_t.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/water_mp2.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/water_mp2.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/water_mp3.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.1/water_mp3.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2 directory
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_dispersion_bp86_d3zero.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_dispersion_bp86_d3zero.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_gopt.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_gopt.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_ir.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_ir.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_nmr.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_nmr.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_raman.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_raman.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_rocis.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_rocis.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_scan.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_scan.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_scan_unrelaxed.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_scan_unrelaxed.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_sp.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_sp.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_sp_un.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_sp_un.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_td.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/dvb_td.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/Trp_polar.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/Trp_polar.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/water_ccsd.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/water_ccsd.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/water_ccsd_t.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/water_ccsd_t.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/water_mp2.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/water_mp2.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/water_mp3.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA4.2/water_mp3.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0 directory
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_dispersion_bp86_d3zero.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_dispersion_bp86_d3zero.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_gopt.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_gopt.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_ir.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_ir.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_nmr.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_nmr.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_raman.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_raman.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_rocis.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_rocis.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_scan.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_scan.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_scan_unrelaxed.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_scan_unrelaxed.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_sp.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_sp.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_sp_un.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_sp_un.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_td.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/dvb_td.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/Trp_polar.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/Trp_polar.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/water_ccsd.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/water_ccsd.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/water_ccsd_t.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/water_ccsd_t.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/water_mp2.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/water_mp2.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/water_mp3.inp file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/ORCA/basicORCA5.0/water_mp3.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4 directory
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1 directory
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/C_bigbasis.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/C_bigbasis.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/dvb_dispersion_bp86_d3zero.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/dvb_dispersion_bp86_d3zero.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/dvb_gopt_rhf.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/dvb_gopt_rhf.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/dvb_gopt_rks.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/dvb_gopt_rks.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/dvb_ir_rhf.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/dvb_ir_rhf.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/dvb_sp_rhf.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/dvb_sp_rhf.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/dvb_sp_rks.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/dvb_sp_rks.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/dvb_sp_rohf.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/dvb_sp_rohf.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/dvb_sp_uhf.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/dvb_sp_uhf.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/dvb_sp_uks.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/dvb_sp_uks.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/water_ccsd(t).in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/water_ccsd(t).out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/water_ccsd.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/water_ccsd.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/water_mp2.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.2.1/water_mp2.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.3.1 directory
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.3.1/C_bigbasis.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.3.1/C_bigbasis.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.3.1/dvb_dispersion_bp86_d3zero.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.3.1/dvb_dispersion_bp86_d3zero.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.3.1/dvb_gopt_rhf.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.3.1/dvb_gopt_rhf.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.3.1/dvb_gopt_rks.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.3.1/dvb_gopt_rks.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.3.1/dvb_ir_rhf.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.3.1/dvb_ir_rhf.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.3.1/dvb_sp_rhf.in file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.3.1/dvb_sp_rhf.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.3.1/dvb_sp_rks.in file
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python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Psi4/basicPsi4-1.3.1/dvb_sp_rohf.in file
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python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/QChem directory
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python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole directory
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9 directory
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_gopt directory
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_gopt/basis file
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python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_gopt/GEO_OPT_CONVERGED file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_gopt/gradient file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_gopt/job.last file
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python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_gopt/mos file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_gopt/statistics file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_gopt/std.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_ir directory
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_ir/aoforce.out file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_ir/basis file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_ir/control file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_ir/coord file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_ir/ddip file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_ir/energy file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_ir/hessian file
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python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_sp directory
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_sp/basis file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_sp/control file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_sp/coord file
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python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_sp/mos file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_sp/statistics file
python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/data/Turbomole/basicTurbomole5.9/dvb_sp_symm directory
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