# This list defines which data files are used for which unittests.
# Description of columns:
#   column 1: test module
#   column 2: parser class
#   column 3: unittest class
#   column 4: subdirectory containing the data file(s)
#   column 5 and further: data files to be used in the unittest
#   everything after a hash (#) will be considered a comment

# Most SP runs contain a printout of the basis set, by default or after using
# a special keyword, and we can test both HF and DFT outputs. Gaussian is an
# exception, as it has at least two different formats for printing basis set
# information, and so we made dedicated unit test logfiles in that case.
Basis     DALTON      GenericBasisTest      basicDALTON-2013      dvb_sp_hf.out
Basis     DALTON      GenericBasisTest      basicDALTON-2015      dvb_sp_hf.out
Basis     DALTON      GenericBasisTest      basicDALTON-2013      dvb_sp_ks.out
Basis     DALTON      GenericBasisTest      basicDALTON-2015      dvb_sp_ks.out
Basis     GAMESSUK    GenericBasisTest      basicGAMESS-UK7.0     dvb_sp_b.out
Basis     GAMESSUK    GenericBasisTest      basicGAMESS-UK8.0     dvb_sp_hf.out
Basis     GAMESSUK    GenericBasisTest      basicGAMESS-UK8.0     dvb_sp_ks.out
Basis     GAMESS      GenericBasisTest      basicGAMESS-US2017    dvb_sp.out
Basis     GAMESS      GenericBasisTest      basicGAMESS-US2018    dvb_sp.out
Basis     GAMESS      GenericBasisTest      basicFirefly8.0       dvb_sp.out
Basis     Gaussian    GenericBasisTest      basicGaussian09       dvb_sp.out
Basis     Gaussian    GenericBasisTest      basicGaussian16       dvb_sp.out
Basis     Jaguar      JaguarBasisTest       basicJaguar8.3        dvb_sp_hf.out
Basis     Jaguar      JaguarBasisTest       basicJaguar8.3        dvb_sp_ks.out
Basis     Molcas      GenericBasisTest      basicOpenMolcas18.0   dvb_sp.out
Basis     Molpro      GenericBasisTest      basicMolpro2006       dvb_sphf.out
Basis     Molpro      GenericBasisTest      basicMolpro2012       dvb_sphf.out
Basis     NWChem      GenericBasisTest      basicNWChem6.0        dvb_sp_hf.out
Basis     NWChem      GenericBasisTest      basicNWChem6.0        dvb_sp_ks.out
Basis     NWChem      GenericBasisTest      basicNWChem6.5        dvb_sp_hf.out
Basis     NWChem      GenericBasisTest      basicNWChem6.5        dvb_sp_ks.out
Basis     NWChem      GenericBasisTest      basicNWChem7.0        dvb_sp_hf.out
Basis     NWChem      GenericBasisTest      basicNWChem7.0        dvb_sp_ks.out
Basis     ORCA        GenericBasisTest      basicORCA4.1          dvb_sp.out
Basis     ORCA        GenericBasisTest      basicORCA4.2          dvb_sp.out
Basis     ORCA        GenericBasisTest      basicORCA5.0          dvb_sp.out
Basis     Psi4        GenericBasisTest      basicPsi4-1.2.1       dvb_sp_rhf.out
Basis     Psi4        GenericBasisTest      basicPsi4-1.2.1       dvb_sp_rks.out
Basis     Psi4        GenericBasisTest      basicPsi4-1.3.1       dvb_sp_rhf.out
Basis     Psi4        GenericBasisTest      basicPsi4-1.3.1       dvb_sp_rks.out
Basis     Psi4        GenericBasisTest      basicPsi4-1.7         dvb_sp_rhf.out
Basis     Psi4        GenericBasisTest      basicPsi4-1.7         dvb_sp_rks.out
Basis     QChem       GenericBasisTest      basicQChem5.1         dvb_sp.out
Basis     QChem       GenericBasisTest      basicQChem5.4         dvb_sp.out

Basis     DALTON      DALTONBigBasisTest    basicDALTON-2013      C_bigbasis.out
Basis     DALTON      DALTONBigBasisTest    basicDALTON-2015      C_bigbasis.out
Basis     GAMESS      GenericBigBasisTest   basicFirefly8.0       C_bigbasis.out
Basis     GAMESS      GenericBigBasisTest   basicGAMESS-US2017    C_bigbasis.out
Basis     GAMESS      GenericBigBasisTest   basicGAMESS-US2018    C_bigbasis.out
Basis     Gaussian    GaussianBigBasisTest  basicGaussian09       C_bigbasis.out
Basis     Gaussian    GaussianBigBasisTest  basicGaussian16       C_bigbasis.out
Basis     Jaguar      JaguarBigBasisTest    basicJaguar8.3        C_bigbasis.out
Basis     Molcas      MolcasBigBasisTest    basicOpenMolcas18.0   C_bigbasis.out
Basis     Molpro      MolproBigBasisTest    basicMolpro2006       C_bigbasis.out
Basis     Molpro      MolproBigBasisTest    basicMolpro2012       C_bigbasis.out
Basis     NWChem      GenericBigBasisTest   basicNWChem6.0        C_bigbasis.out
Basis     NWChem      GenericBigBasisTest   basicNWChem6.5        C_bigbasis.out
Basis     NWChem      GenericBigBasisTest   basicNWChem7.0        C_bigbasis.out
Basis     Psi4        Psi4BigBasisTest      basicPsi4-1.2.1       C_bigbasis.out
Basis     Psi4        Psi4BigBasisTest      basicPsi4-1.3.1       C_bigbasis.out
Basis     Psi4        Psi4BigBasisTest      basicPsi4-1.7         C_bigbasis.out
Basis     QChem       QChemBigBasisTest     basicQChem5.1         C_bigbasis.out
Basis     QChem       QChemBigBasisTest     basicQChem5.4         C_bigbasis.out

BOMD      Gaussian    GaussianBOMDTest      basicGaussian09       dvb_bomd.out
BOMD      NWChem      GenericBOMDTest       basicNWChem6.6        dvb_bomd_ks.out
BOMD      NWChem      GenericBOMDTest       basicNWChem7.0        dvb_bomd_ks.out
BOMD      QChem       GenericBOMDTest       basicQChem5.1         dvb_bomd.out
BOMD      QChem       GenericBOMDTest       basicQChem5.4         dvb_bomd.out

CC        DALTON      DALTONCCSDPTTest      basicDALTON-2013      water_ccsdt.out
CC        DALTON      DALTONCCSDPTTest      basicDALTON-2015      water_ccsdt.out
CC        GAMESS      GamessCCDTest         basicGAMESS-US2017    water_ccd.out
CC        GAMESS      GamessCCDTest         basicGAMESS-US2018    water_ccd.out
CC        GAMESS      GamessCCSDTest        basicGAMESS-US2017    water_ccsd.out
CC        GAMESS      GamessCCSDTest        basicGAMESS-US2018    water_ccsd.out
CC        GAMESS      GamessCCSDPTTest      basicGAMESS-US2017    water_ccsd(t).out
CC        GAMESS      GamessCCSDPTTest      basicGAMESS-US2018    water_ccsd(t).out
CC        Gaussian    GenericCCDTest        basicGaussian09       water_ccd.log
CC        Gaussian    GenericCCDTest        basicGaussian16       water_ccd.log
CC        Gaussian    GenericCCSDTest       basicGaussian09       water_ccsd.log
CC        Gaussian    GenericCCSDTest       basicGaussian16       water_ccsd.log
CC        Gaussian    GenericCCSDPTTest     basicGaussian09       water_ccsdt.log
CC        Gaussian    GenericCCSDPTTest     basicGaussian16       water_ccsdt.log
CC        Molpro      MolproCCDTest         basicMolpro2006       h2o_ccd.out
CC        Molpro      MolproCCDTest         basicMolpro2012       h2o_ccd.out
CC        Molpro      MolproCCSDTest        basicMolpro2006       h2o_ccsd.out
CC        Molpro      MolproCCSDTest        basicMolpro2012       h2o_ccsd.out
CC        Molpro      MolproCCSDPTTest      basicMolpro2006       h2o_ccsd(t).out
CC        Molpro      MolproCCSDPTTest      basicMolpro2012       h2o_ccsdt.out
CC        Molcas      MolcasCCSDTest        basicOpenMolcas18.0   water_ccsd.out
CC        NWChem      NWChemCCSDPTTest      basicNWChem6.0        water_ccsd(t).out
CC        NWChem      NWChemCCSDPTTest      basicNWChem6.5        water_ccsd(t).out
CC        NWChem      NWChemCCSDPTTest      basicNWChem7.0        water_ccsd(t).out
CC        ORCA        OrcaCCSDTest          basicORCA4.1          water_ccsd.out
CC        ORCA        OrcaCCSDPTTest        basicORCA4.1          water_ccsd_t.out
CC        ORCA        OrcaCCSDTest          basicORCA4.2          water_ccsd.out
CC        ORCA        OrcaCCSDPTTest        basicORCA4.2          water_ccsd_t.out
CC        ORCA        OrcaCCSDTest          basicORCA5.0          water_ccsd.out
CC        ORCA        OrcaCCSDPTTest        basicORCA5.0          water_ccsd_t.out
CC        Psi4        Psi4CCSDTest          basicPsi4-1.2.1       water_ccsd.out
CC        Psi4        Psi4CCSDPTTest        basicPsi4-1.2.1       water_ccsd(t).out
CC        Psi4        Psi4CCSDTest          basicPsi4-1.3.1       water_ccsd.out
CC        Psi4        Psi4CCSDPTTest        basicPsi4-1.3.1       water_ccsd(t).out
CC        Psi4        Psi4CCSDTest          basicPsi4-1.7         water_ccsd.out
CC        Psi4        Psi4CCSDPTTest        basicPsi4-1.7         water_ccsd(t).out
CC        QChem       GenericCCDTest        basicQChem5.1         water_ccd.out
CC        QChem       GenericCCSDTest       basicQChem5.1         water_ccsd.out
CC        QChem       GenericCCSDPTTest     basicQChem5.1         water_ccsd(t).out
CC        QChem       GenericCCDTest        basicQChem5.4         water_ccd.out
CC        QChem       GenericCCSDTest       basicQChem5.4         water_ccsd.out
CC        QChem       GenericCCSDPTTest     basicQChem5.4         water_ccsd(t).out
CC        Turbomole   TurbomoleCCSDTest     basicTurbomole7.2     water_ccsd/basis      water_ccsd/control      water_ccsd/mos      water_ccsd/dscf.out      water_ccsd/ccsdf12.out
CC        Turbomole   TurbomoleCCSDTest     basicTurbomole7.4     water_ccsd/basis      water_ccsd/control      water_ccsd/mos      water_ccsd/dscf.out      water_ccsd/ccsdf12.out
CC        Turbomole   GenericCC2Test        basicTurbomole7.4     water_cc2/basis      water_cc2/control      water_cc2/mos      water_cc2/dscf.out      water_cc2/ricc2.out

CI        GAMESS      GAMESSCISTest         basicGAMESS-US2017    water_cis_saps.out
CI        GAMESS      GAMESSCISTest         basicGAMESS-US2018    water_cis_saps.out
CI        Gaussian    GaussianCISTest       basicGaussian09       water_cis.log
CI        Gaussian    GaussianCISTest       basicGaussian16       water_cis.log
CI        Jaguar      GenericCISTest        basicJaguar7.0        water_cis.out
CI        Jaguar      Jaguar83CISTest       basicJaguar8.3        water_cis.out
CI        QChem       QChemCISTest          basicQChem5.1         water_cis.out
CI        QChem       QChemCISTest          basicQChem5.4         water_cis.out

Core      ADF         ADFCoreTest           basicADF2007.01       MoOCl4-sp.adfout
Core      ADF         ADFCoreTest           basicADF2013.01       MoOCl4-sp.adfout
Core      FChk        GenericCoreTest       basicGaussian09       Mo4OCl4-sp.fchk
Core      FChk        GenericCoreTest       basicGaussian16       Mo4OCl4-sp.fchk
Core      FChk        GenericCoreTest       basicQChem5.2         MoOCl4_sp_modified.FChk
Core      FChk        GenericCoreTest       basicQChem5.4         MoOCl4_sp.fchk
Core      GAMESSUK    GenericCoreTest       basicGAMESS-UK7.0     MoOCl4-sp.out
Core      GAMESSUK    GenericCoreTest       basicGAMESS-UK8.0     MoOCl4-sp.out
Core      GAMESS      GenericCoreTest       basicGAMESS-US2017    MoOCl4-sp.out
Core      GAMESS      GenericCoreTest       basicGAMESS-US2018    MoOCl4-sp.out
Core      Gaussian    GenericCoreTest       basicGaussian09       Mo4OCl4-sp.log
Core      Gaussian    GenericCoreTest       basicGaussian16       Mo4OCl4-sp.log
Core      Jaguar      JaguarCoreTest        basicJaguar8.3        MoOCl4-sp.out
Core      Molcas      GenericCoreTest       basicOpenMolcas18.0   MoOCl4_sp.out
Core      QChem       GenericCoreTest       basicQChem5.1         MoOCl4_sp.out
Core      QChem       GenericCoreTest       basicQChem5.4         MoOCl4_sp.out

GeoOpt    ADF         ADFGeoOptTest         basicADF2007.01       dvb_gopt_b.adfout
GeoOpt    ADF         ADFGeoOptTest         basicADF2013.01       dvb_gopt_b.adfout
GeoOpt    DALTON      DALTONGeoOptTest      basicDALTON-2013      dvb_gopt_hf.out
GeoOpt    DALTON      DALTONGeoOptTest      basicDALTON-2013      dvb_gopt_ks.out
GeoOpt    DALTON      DALTONGeoOptTest      basicDALTON-2015      dvb_gopt_hf.out
GeoOpt    DALTON      DALTONGeoOptTest      basicDALTON-2015      dvb_gopt_ks.out
GeoOpt    GAMESSUK    GenericGeoOptTest     basicGAMESS-UK7.0     dvb_gopt_d.out
GeoOpt    GAMESSUK    GenericGeoOptTest     basicGAMESS-UK8.0     dvb_gopt_hf.out
GeoOpt    GAMESSUK    GenericGeoOptTest     basicGAMESS-UK8.0     dvb_gopt_ks.out
GeoOpt    GAMESS      GenericGeoOptTest     basicFirefly8.0       dvb_gopt_a.out
GeoOpt    GAMESS      GenericGeoOptTest     basicGAMESS-US2017    dvb_gopt_a.out
GeoOpt    GAMESS      GenericGeoOptTest     basicGAMESS-US2018    dvb_gopt_a.out
GeoOpt    Gaussian    GaussianGeoOptTest    basicGaussian09       dvb_gopt.out
GeoOpt    Gaussian    GaussianGeoOptTest    basicGaussian16       dvb_gopt.out
GeoOpt    Jaguar      GenericGeoOptTest     basicJaguar7.0        dvb_gopt_b.out
GeoOpt    Jaguar      GenericGeoOptTest     basicJaguar8.3        dvb_gopt_hf.out
GeoOpt    Jaguar      GenericGeoOptTest     basicJaguar8.3        dvb_gopt_ks.out
GeoOpt    Molcas      MolcasGeoOptTest      basicOpenMolcas18.0   dvb_gopt.out
GeoOpt    Molpro      MolproGeoOptTest      basicMolpro2006       dvb_gopt.out          dvb_gopt.log
GeoOpt    Molpro      MolproGeoOptTest      basicMolpro2012       dvb_gopt.out          dvb_gopt.log
GeoOpt    MOPAC       MOPACGeoOptTest       basicMOPAC2016        dvb_gopt.out
GeoOpt    NWChem      NWChemGeoOptTest      basicNWChem6.0        dvb_gopt_hf.out
GeoOpt    NWChem      NWChemGeoOptTest      basicNWChem6.0        dvb_gopt_ks.out
GeoOpt    NWChem      NWChemGeoOptTest      basicNWChem6.5        dvb_gopt_hf.out
GeoOpt    NWChem      NWChemGeoOptTest      basicNWChem6.5        dvb_gopt_ks.out
GeoOpt    NWChem      NWChemGeoOptTest      basicNWChem7.0        dvb_gopt_hf.out
GeoOpt    NWChem      NWChemGeoOptTest      basicNWChem7.0        dvb_gopt_ks.out
GeoOpt    ORCA        OrcaGeoOptTest        basicORCA4.1          dvb_gopt.out
GeoOpt    ORCA        OrcaGeoOptTest        basicORCA4.2          dvb_gopt.out
GeoOpt    ORCA        OrcaGeoOptTest        basicORCA5.0          dvb_gopt.out
GeoOpt    Psi4        Psi4GeoOptTest        basicPsi4-1.2.1       dvb_gopt_rhf.out
GeoOpt    Psi4        Psi4GeoOptTest        basicPsi4-1.2.1       dvb_gopt_rks.out
GeoOpt    Psi4        Psi4GeoOptTest        basicPsi4-1.3.1       dvb_gopt_rhf.out
GeoOpt    Psi4        Psi4GeoOptTest        basicPsi4-1.3.1       dvb_gopt_rks.out
GeoOpt    Psi4        Psi4GeoOptTest        basicPsi4-1.7         dvb_gopt_rhf.out
GeoOpt    Psi4        Psi4GeoOptTest        basicPsi4-1.7         dvb_gopt_rks.out
GeoOpt    QChem       GenericGeoOptTest     basicQChem5.1         dvb_gopt.out
GeoOpt    QChem       GenericGeoOptTest     basicQChem5.4         dvb_gopt.out
GeoOpt    Turbomole   TurbomoleGeoOptTest   basicTurbomole5.9     dvb_gopt/basis      dvb_gopt/control      dvb_gopt/mos      dvb_gopt/job.last
GeoOpt    Turbomole   TurbomoleKeepGeoOptTest   basicTurbomole7.5     dvb_gopt/basis      dvb_gopt/control      dvb_gopt/mos      dvb_gopt/job.0      dvb_gopt/job.1      dvb_gopt/job.2      dvb_gopt/job.3      dvb_gopt/job.4      dvb_gopt/job.5     dvb_gopt/job.last

MP        DALTON      GenericMP2Test        basicDALTON-2013      water_mp2.out
MP        DALTON      GenericMP2Test        basicDALTON-2015      water_mp2.out
MP        GAMESSUK    GenericMP2Test        basicGAMESS-UK7.0     water_mp2.out
MP        GAMESSUK    GenericMP3Test        basicGAMESS-UK7.0     water_mp3.out
MP        GAMESSUK    GenericMP2Test        basicGAMESS-UK8.0     water_mp2.out
MP        GAMESSUK    GenericMP3Test        basicGAMESS-UK8.0     water_mp3.out
MP        GAMESS      GenericMP2Test        basicGAMESS-US2017    water_mp2.out
MP        GAMESS      GenericMP2Test        basicGAMESS-US2018    water_mp2.out
MP        Gaussian    GaussianMP2Test       basicGaussian09       water_mp2.log
MP        Gaussian    GaussianMP2Test       basicGaussian16       water_mp2.log
MP        Gaussian    GaussianMP3Test       basicGaussian09       water_mp3.log
MP        Gaussian    GaussianMP3Test       basicGaussian16       water_mp3.log
MP        Gaussian    GaussianMP4SDQTest    basicGaussian09       water_mp4sdq.log
MP        Gaussian    GaussianMP4SDQTest    basicGaussian16       water_mp4sdq.log
MP        Gaussian    GaussianMP4SDTQTest   basicGaussian09       water_mp4.log
MP        Gaussian    GaussianMP4SDTQTest   basicGaussian16       water_mp4.log
MP        Gaussian    GenericMP5Test        basicGaussian09       water_mp5.log
MP        Gaussian    GenericMP5Test        basicGaussian16       water_mp5.log
MP        Jaguar      GenericMP2Test        basicJaguar7.0        water_lmp2.out
MP        Jaguar      GenericMP2Test        basicJaguar8.3        water_lmp2.out
MP        GAMESS      GenericMP2Test        basicFirefly8.0       water_mp2.out
MP        Molpro      GenericMP2Test        basicMolpro2006       h2o_mp2.out
MP        Molpro      GenericMP2Test        basicMolpro2012       h2o_mp2.out
MP        Molpro      GenericMP3Test        basicMolpro2006       h2o_mp3.out
MP        Molpro      GenericMP3Test        basicMolpro2012       h2o_mp3.out
MP        Molpro      GenericMP4SDTQTest    basicMolpro2006       h2o_mp4.out
MP        Molpro      GenericMP4SDTQTest    basicMolpro2012       h2o_mp4.out
MP        Molcas      GenericMP2Test        basicOpenMolcas18.0   water_mbpt2.out
MP        NWChem      GenericMP2Test        basicNWChem6.0        water_mp2.out
MP        NWChem      GenericMP2Test        basicNWChem6.5        water_mp2.out
MP        NWChem      GenericMP2Test        basicNWChem7.0        water_mp2.out
MP        ORCA        GenericMP2Test        basicORCA4.1          water_mp2.out
MP        ORCA        GenericMP2Test        basicORCA4.2          water_mp2.out
MP        ORCA        GenericMP2Test        basicORCA5.0          water_mp2.out
MP        ORCA        GenericMP3Test        basicORCA4.1          water_mp3.out
MP        ORCA        GenericMP3Test        basicORCA4.2          water_mp3.out
MP        ORCA        GenericMP3Test        basicORCA5.0          water_mp3.out
MP        Psi4        GenericMP2Test        basicPsi4-1.2.1       water_mp2.out
MP        Psi4        GenericMP2Test        basicPsi4-1.3.1       water_mp2.out
MP        Psi4        GenericMP2Test        basicPsi4-1.7         water_mp2.out
MP        QChem       GenericMP2Test        basicQChem5.1         water_mp2.out
MP        QChem       GenericMP3Test        basicQChem5.1         water_mp3.out
MP        QChem       QChemMP4SDQTest       basicQChem5.1         water_mp4sdq.out
MP        QChem       QChemMP4SDTQTest      basicQChem5.1         water_mp4.out
MP        QChem       GenericMP2Test        basicQChem5.4         water_mp2.out
MP        QChem       GenericMP3Test        basicQChem5.4         water_mp3.out
MP        QChem       QChemMP4SDQTest       basicQChem5.4         water_mp4sdq.out
MP        QChem       QChemMP4SDTQTest      basicQChem5.4         water_mp4.out
MP        Turbomole   GenericMP2Test        basicTurbomole7.2     water_mp2/basis    water_mp2/control    water_mp2/coord    water_mp2/mos    water_mp2/dscf.out    water_mp2/ccsdf12.out
MP        Turbomole   GenericMP2Test        basicTurbomole7.4     water_mp2/basis    water_mp2/control    water_mp2/coord    water_mp2/mos    water_mp2/dscf.out    water_mp2/ccsdf12.out
MP        Turbomole   GenericMP2Test        basicTurbomole7.4     water_mp2_rimp2/basis    water_mp2_rimp2/control    water_mp2_rimp2/coord    water_mp2_rimp2/mos    water_mp2_rimp2/dscf.out    water_mp2_rimp2/rimp2.out
MP        Turbomole   GenericMP2Test        basicTurbomole7.4     water_mp2_ricc2/basis    water_mp2_ricc2/control    water_mp2_ricc2/coord    water_mp2_ricc2/mos    water_mp2_ricc2/dscf.out    water_mp2_ricc2/ricc2.out
MP        Turbomole   GenericMP3Test        basicTurbomole7.4     water_mp3/basis    water_mp3/control    water_mp3/coord    water_mp3/mos    water_mp3/dscf.out    water_mp3/ccsdf12.out

NMR       ORCA        GenericNMRTest        basicORCA4.1          dvb_nmr.out
NMR       ORCA        GenericNMRTest        basicORCA4.2          dvb_nmr.out
NMR       ORCA        GenericNMRTest        basicORCA5.0          dvb_nmr.out
NMR       ORCA        GenericNMRCouplingTest        basicORCA5.0          dvb_coupling_nmr.out

Polar     DALTON      ReferencePolarTest    basicDALTON-2015      Trp_polar_abalnr.out
Polar     FChk        ReferencePolarTest    basicGaussian16       Trp_polar.fchk
Polar     GAMESS      ReferencePolarTest    basicGAMESS-US2017    Trp_polar_tdhf.out
Polar     GAMESS      ReferencePolarTest    basicGAMESS-US2018    Trp_polar_tdhf.out
Polar     Gaussian    ReferencePolarTest    basicGaussian09       Trp_polar.log
Polar     Gaussian    ReferencePolarTest    basicGaussian16       Trp_polar.log
Polar     Gaussian    ReferencePolarTest    basicGaussian16       Trp_polar_G16C01.log
Polar     Molpro      ReferencePolarTest    basicMolpro2012       Trp_polar.out
Polar     NWChem      ReferencePolarTest    basicNWChem6.5        Trp_polar.out
Polar     NWChem      ReferencePolarTest    basicNWChem7.0        Trp_polar.out
Polar     ORCA        ReferencePolarTest    basicORCA4.1          Trp_polar.out
Polar     ORCA        ReferencePolarTest    basicORCA4.2          Trp_polar.out
Polar     ORCA        ReferencePolarTest    basicORCA5.0          Trp_polar.out
Polar     QChem       ReferencePolarTest    basicQChem5.1         Trp_polar.out
Polar     QChem       ReferencePolarTest    basicQChem5.4         Trp_polar.out

Scan      Gaussian     GenericRelaxedScanTest_optdone_bool   basicGaussian09       dvb_scan.log
Scan      Gaussian     GaussianRelaxedScanTest               basicGaussian09       dvb_scan.log
Scan      Gaussian     GenericRelaxedScanTest_optdone_bool   basicGaussian16       dvb_scan_relaxed.log
Scan      Gaussian     GaussianRelaxedScanTest               basicGaussian16       dvb_scan_relaxed.log
Scan      Gaussian     GaussianUnrelaxedScanTest             basicGaussian16       dvb_scan_unrelaxed.log
Scan      Jaguar       GenericRelaxedScanTest_optdone_bool   basicJaguar8.3        dvb_scan.out
Scan      Jaguar       JaguarRelaxedScanTest                 basicJaguar8.3        dvb_scan.out
Scan      ORCA         GenericRelaxedScanTest                basicORCA4.2          dvb_scan.out
Scan      ORCA         GenericUnrelaxedScanTest              basicORCA4.2          dvb_scan_unrelaxed.out
Scan      ORCA         GenericRelaxedScanTest                basicORCA5.0          dvb_scan.out
Scan      ORCA         GenericUnrelaxedScanTest              basicORCA5.0          dvb_scan_unrelaxed.out

SP        ADF         ADFSPTest             basicADF2007.01             dvb_sp_b.adfout
SP        ADF         ADFSPTest             basicADF2013.01             dvb_sp_b.adfout
SP        DALTON      GenericHFSPTest       basicDALTON-2013            dvb_sp_hf.out
SP        DALTON      GenericSPTest         basicDALTON-2013            dvb_sp_ks.out
SP        DALTON      GenericHFSPTest       basicDALTON-2015            dvb_sp_hf.out
SP        DALTON      GenericSPTest         basicDALTON-2015            dvb_sp_ks.out
SP        FChk        GenericSPTest         basicGaussian09             dvb_sp.fchk
SP        FChk        GenericSPTest         basicGaussian16             dvb_sp.fchk
SP        FChk        GenericSPTest         basicQChem5.2               dvb_sp_modified.FChk
SP        FChk        GenericSPTest         basicQChem5.4               dvb_sp.fchk
SP        GAMESSUK    GenericSPTest         basicGAMESS-UK7.0           dvb_sp_b.out
SP        GAMESSUK    GenericHFSPTest       basicGAMESS-UK8.0           dvb_sp_hf.out
SP        GAMESSUK    GenericSPTest         basicGAMESS-UK8.0           dvb_sp_ks.out
SP        GAMESS      GenericHFSPTest       basicFirefly8.0             dvb_sp.out
SP        GAMESS      GenericSPTest         basicGAMESS-US2017          dvb_sp.out
SP        GAMESS      GenericSPTest         basicGAMESS-US2018          dvb_sp.out
SP        GAMESSDAT   GenericSPTest         basicGAMESS-US2018          dvb_sp.dat
SP        Gaussian    GaussianSPTest        basicGaussian09             dvb_sp.out
SP        Gaussian    GaussianSPTest        basicGaussian16             dvb_sp.out
SP        Gaussian    GaussianSPTest        basicGaussian16             dvb_sp_no.out
SP        Jaguar      Jaguar7SPTest         basicJaguar7.0              dvb_sp.out
SP        Jaguar      JaguarHFSPTest        basicJaguar8.3              dvb_sp_hf.out
SP        Jaguar      JaguarSPTest          basicJaguar8.3              dvb_sp_ks.out
SP        Molcas      MolcasSPTest          basicOpenMolcas18.0         dvb_sp.out
SP        Molpro      MolproSPTest          basicMolpro2006             dvb_sphf.out
SP        Molpro      MolproSPTest          basicMolpro2012             dvb_sphf.out
SP        NWChem      GenericHFSPTest       basicNWChem6.0              dvb_sp_hf.out
SP        NWChem      NWChemKSSPTest        basicNWChem6.0              dvb_sp_ks.out
SP        NWChem      GenericHFSPTest       basicNWChem6.5              dvb_sp_hf.out
SP        NWChem      NWChemKSSPTest        basicNWChem6.5              dvb_sp_ks.out
SP        NWChem      GenericHFSPTest       basicNWChem7.0              dvb_sp_hf.out
SP        NWChem      NWChemKSSPTest        basicNWChem7.0              dvb_sp_ks.out
SP        ORCA        OrcaSPTest            basicORCA4.1                dvb_sp.out
SP        ORCA        OrcaSPTest            basicORCA4.2                dvb_sp.out
SP        ORCA        OrcaSPTest            basicORCA5.0                dvb_sp.out
SP        Psi3        Psi3SPTest            basicPsi3                   dvb_sp_hf.out
SP        Psi4        PsiHFSPTest           basicPsi4-1.2.1             dvb_sp_rhf.out
SP        Psi4        PsiSPTest             basicPsi4-1.2.1             dvb_sp_rks.out
SP        Psi4        PsiHFSPTest           basicPsi4-1.3.1             dvb_sp_rhf.out
SP        Psi4        PsiSPTest             basicPsi4-1.3.1             dvb_sp_rks.out
SP        Psi4        PsiHFSPTest           basicPsi4-1.7               dvb_sp_rhf.out
SP        Psi4        PsiSPTest             basicPsi4-1.7               dvb_sp_rks.out
SP        QChem       GenericSPTest         basicQChem5.1               dvb_sp.out
SP        QChem       GenericSPTest         basicQChem5.4               dvb_sp.out
SP        Turbomole   TurbomoleSPTest       basicTurbomole5.9           dvb_sp_symm/mos       dvb_sp_symm/basis      dvb_sp_symm/control      dvb_sp_symm/dscf.out      dvb_sp_symm/coord
SP        Turbomole   TurbomoleHFSPTest     basicTurbomole7.5           dvb_sp/basis      dvb_sp/control      dvb_sp/mos      dvb_sp/dscf.out      dvb_sp/coord
SP        DALTON      GenericDispersionTest basicDALTON-2018            dvb_dispersion_bp86_d3zero.out
SP        GAMESS      FireflyDispersionTest basicFirefly8.1             dvb_dispersion_bp86_d3zero.out
SP        GAMESS      GenericDispersionTest basicGAMESS-US2018          dvb_dispersion_bp86_d3zero.out
SP        Gaussian    GenericDispersionTest basicGaussian09             dvb_dispersion_bp86_d3zero.out
SP        Gaussian    GenericDispersionTest basicGaussian16             dvb_dispersion_bp86_d3zero.out
SP        NWChem      GenericDispersionTest basicNWChem6.8              dvb_dispersion_bp86_d3zero.out
SP        NWChem      GenericDispersionTest basicNWChem7.0              dvb_dispersion_bp86_d3zero.out
SP        ORCA        GenericDispersionTest basicORCA4.1                dvb_dispersion_bp86_d3zero.out
SP        ORCA        GenericDispersionTest basicORCA4.2                dvb_dispersion_bp86_d3zero.out
SP        ORCA        GenericDispersionTest basicORCA5.0                dvb_dispersion_bp86_d3zero.out
SP        Psi4        GenericDispersionTest basicPsi4-1.2.1             dvb_dispersion_bp86_d3zero.out
SP        Psi4        GenericDispersionTest basicPsi4-1.3.1             dvb_dispersion_bp86_d3zero.out
SP        Psi4        GenericDispersionTest basicPsi4-1.7               dvb_dispersion_bp86_d3zero.out
SP        QChem       GenericDispersionTest basicQChem5.1               dvb_dispersion_bp86_d3zero.out
SP        QChem       GenericDispersionTest basicQChem5.4               dvb_dispersion_bp86_d3zero.out

SP        Gaussian    IEFPCMMetadataTest    basicGaussian16             water_hf_solvent_pcm.log
SP        Gaussian    CPCMMetadataTest      basicGaussian16             water_hf_solvent_cpcm.log
SP        Gaussian    SCIPCMMetadataTest    basicGaussian16             water_hf_solvent_scipcm.log
SP        Gaussian    IPCMMetadataTest      basicGaussian16             water_hf_solvent_ipcm.log
SP        Gaussian    SMDIEFPCMMetadataTest basicGaussian16             water_hf_solvent_smd.log
SP        Turbomole   COSMOMetadataTest     basicTurbomole7.5           water_hf_solvent_cosmo/basis      water_hf_solvent_cosmo/control      water_hf_solvent_cosmo/mos      water_hf_solvent_cosmo/water.log      water_hf_solvent_cosmo/coord
SP        ORCA        CPCMMetadataTest      basicORCA5.0                water_hf_solvent_cpcm.log
SP        ORCA        CPCMCOSMOMetadataTest basicORCA5.0                water_hf_solvent_cpcm_cosmo.log
SP        ORCA        SMDCPCMMetadataTest   basicORCA5.0                water_hf_solvent_smd.log
SP        QChem       COSMOMetadataTest          basicQChem6.0               water_hf_solvent_cosmo.out
SP        QChem       CPCMCOSMOMetadataTest      basicQChem6.0               water_hf_solvent_pcm_cosmo.out
SP        QChem       CPCMMetadataTest           basicQChem6.0               water_hf_solvent_pcm_cpcm.out
SP        QChem       IEFPCMMetadataTest         basicQChem6.0               water_hf_solvent_pcm_iefpcm.out
SP        QChem       QChemSMDCPCMMetadataTest   basicQChem6.0               water_hf_solvent_smd_cpcm.out
SP        QChem       SMDIEFPCMMetadataTest      basicQChem6.0               water_hf_solvent_smd_iefpcm.out

SPun      ADF         GenericSPunTest       basicADF2007.01       dvb_un_sp.adfout
SPun      ADF         GenericSPunTest       basicADF2013.01       dvb_un_sp.adfout
SPun      DALTON      GenericROSPTest       basicDALTON-2013      dvb_sp_un_hf.out
SPun      DALTON      GenericROSPTest       basicDALTON-2013      dvb_sp_un_ks.out
SPun      DALTON      GenericROSPTest       basicDALTON-2015      dvb_sp_un_hf.out
SPun      DALTON      GenericROSPTest       basicDALTON-2015      dvb_sp_un_ks.out
SPun      FChk        GenericSPunTest       basicGaussian09       dvb_un_sp.fchk
SPun      FChk        GenericSPunTest       basicGaussian16       dvb_un_sp.fchk
SPun      FChk        GenericSPunTest       basicQChem5.2         dvb_sp_un_modified.FChk
SPun      FChk        GenericSPunTest       basicQChem5.4         dvb_sp_un.fchk
SPun      GAMESSUK    GamessUK70SPunTest    basicGAMESS-UK7.0     dvb_un_sp_b.out
SPun      GAMESSUK    GamessUK80SPunTest    basicGAMESS-UK8.0     dvb_un_sp_hf.out
SPun      GAMESSUK    GamessUK80SPunTest    basicGAMESS-UK8.0     dvb_un_sp_ks.out
SPun      GAMESS      GenericSPunTest       basicGAMESS-US2017    dvb_un_sp.out
SPun      GAMESS      GenericSPunTest       basicGAMESS-US2018    dvb_un_sp.out
SPun      GAMESS      GenericSPunTest       basicFirefly8.0       dvb_un_sp.out
SPun      Gaussian    GaussianSPunTest      basicGaussian09       dvb_un_sp_b.log
SPun      Gaussian    GaussianSPunTest      basicGaussian16       dvb_un_sp_b.log
SPun      Gaussian    GaussianSPunTest      basicGaussian16       dvb_un_sp_nso.log
SPun      Jaguar      JaguarSPunTest        basicJaguar7.0        dvb_un_sp.out
SPun      Jaguar      JaguarSPunTest        basicJaguar8.3        dvb_un_sp_hf.out
SPun      Jaguar      JaguarSPunTest        basicJaguar8.3        dvb_un_sp_ks.out
SPun	  Molcas      GenericSPunTest       basicOpenMolcas18.0	  dvb_sp_un.out
SPun      Molpro      GenericSPunTest       basicMolpro2006       dvb_sphf_un.out
SPun      Molpro      GenericSPunTest       basicMolpro2012       dvb_sphf_un.out
SPun      NWChem      GenericSPunTest       basicNWChem6.0        dvb_un_sp_ks.out
SPun      NWChem      GenericSPunTest       basicNWChem6.5        dvb_un_sp_ks.out
SPun      NWChem      GenericSPunTest       basicNWChem7.0        dvb_un_sp_ks.out
SPun      ORCA        GenericSPunTest       basicORCA4.1          dvb_sp_un.out
SPun      ORCA        GenericSPunTest       basicORCA4.2          dvb_sp_un.out
SPun      ORCA        GenericSPunTest       basicORCA5.0          dvb_sp_un.out
SPun      Psi4        GenericROSPTest       basicPsi4-1.2.1       dvb_sp_rohf.out
SPun      Psi4        GenericSPunTest       basicPsi4-1.2.1       dvb_sp_uhf.out
SPun      Psi4        GenericSPunTest       basicPsi4-1.2.1       dvb_sp_uks.out
SPun      Psi4        GenericROSPTest       basicPsi4-1.3.1       dvb_sp_rohf.out
SPun      Psi4        GenericSPunTest       basicPsi4-1.3.1       dvb_sp_uhf.out
SPun      Psi4        GenericSPunTest       basicPsi4-1.3.1       dvb_sp_uks.out
SPun      Psi4        GenericROSPTest       basicPsi4-1.7         dvb_sp_rohf.out
SPun      Psi4        GenericSPunTest       basicPsi4-1.7         dvb_sp_uhf.out
SPun      Psi4        GenericSPunTest       basicPsi4-1.7         dvb_sp_uks.out
SPun      QChem       GenericSPunTest       basicQChem5.1         dvb_sp_un.out
SPun      QChem       GenericSPunTest       basicQChem5.4         dvb_sp_un.out
SPun      Turbomole   GenericSPunTest       basicTurbomole5.9     dvb_un_sp/alpha    dvb_un_sp/beta    dvb_un_sp/basis    dvb_un_sp/control    dvb_un_sp/dscf.out    dvb_un_sp/coord    dvb_un_sp/gradient

TD        ADF         ADFTDDFTTest          basicADF2007.01       dvb_td.adfout
TD        ADF         ADFTDDFTTest          basicADF2013.01       dvb_td.adfout
TD        DALTON      DALTONTDTest          basicDALTON-2013      dvb_td.out
TD        DALTON      DALTONTDTest          basicDALTON-2015      dvb_td.out
TD        FChk        GaussianTDDFTTest     basicGaussian09       dvb_td.fchk
TD        FChk        GaussianTDDFTTest     basicGaussian16       dvb_td.fchk
TD        FChk        QChemTDDFTTest        basicQChem5.4         dvb_td.fchk
TD        GAMESS      GenericTDTest         basicFirefly8.0       dvb_td.out
TD        GAMESS      GenericTDDFTtrpTest   basicFirefly8.0       dvb_td_trplet.out
TD        GAMESS      GAMESSUSTDDFTTest     basicGAMESS-US2017    dvb_td.out
TD        GAMESS      GAMESSUSTDDFTTest     basicGAMESS-US2018    dvb_td.out
TD        GAMESS      GenericTDDFTtrpTest   basicGAMESS-US2017    dvb_td_trplet.out
TD        GAMESS      GenericTDDFTtrpTest   basicGAMESS-US2018    dvb_td_trplet.out
TD        Gaussian    GaussianTDDFTTest     basicGaussian09       dvb_td.out
TD        Gaussian    GaussianTDDFTTest     basicGaussian16       dvb_td.out
TD        Gaussian    GaussianEOMCCSDTest   basicGaussian16       dvb_eomccsd.log
TD        Jaguar      JaguarTDDFTTest       basicJaguar8.3        dvb_td.out
TD        NWChem      GenericTDTest         basicNWChem7.0        dvb_td.out
TD        ORCA        OrcaTDDFTTest         basicORCA4.1          dvb_td.out
TD        ORCA        OrcaTDDFTTest         basicORCA4.2          dvb_td.out
TD        ORCA        OrcaTDDFTTest         basicORCA5.0          dvb_td.out
TD        ORCA        OrcaROCISTest         basicORCA4.1          dvb_rocis.out
TD        ORCA        OrcaROCISTest         basicORCA4.2          dvb_rocis.out
TD        ORCA        OrcaROCISTest         basicORCA5.0          dvb_rocis.out
TD        ORCA        OrcaADC2Test          basicORCA5.0          dvb_adc2.log
TD        ORCA        OrcaETPostHFTest      basicORCA5.0          dvb_eom_ccsd.log
TD        ORCA        OrcaETPostHFTest      basicORCA5.0          dvb_pno_eom_ccsd.log
TD        ORCA        OrcaSTEOMCCSDTest     basicORCA5.0          dvb_steom_ccsd.log
TD        ORCA        OrcaSTEOMCCSDTest     basicORCA5.0          dvb_steom_dlpno_ccsd.log
TD        QChem       QChemTDDFTTest        basicQChem5.1         dvb_td.out
TD        QChem       QChemTDDFTTest        basicQChem5.4         dvb_td.out
TD        Turbomole   TurbomoleTDTest       basicTurbomole7.4     CO_TD/basis    CO_TD/control    CO_TD/mos    CO_TD/dscf.out    CO_TD/escf.out    CO_TD/coord
TD        Turbomole   TurbomoleTDTripTest   basicTurbomole7.4     CO_TD_trip/basis    CO_TD_trip/control    CO_TD_trip/mos    CO_TD_trip/dscf.out    CO_TD_trip/escf.out    CO_TD_trip/coord
TD        Turbomole   TurbomoleTDCC2Test    basicTurbomole7.4     CO_cc2_TD/basis    CO_cc2_TD/control    CO_cc2_TD/mos    CO_cc2_TD/dscf.out    CO_cc2_TD/ricc2.out    CO_cc2_TD/coord
TD        Turbomole   TurbomoleTDADC2Test   basicTurbomole7.4     CO_adc2_TD/basis    CO_adc2_TD/control    CO_adc2_TD/mos    CO_adc2_TD/CO.log    CO_adc2_TD/coord
TD        Turbomole   TurbomoleTDCC2TripTest   basicTurbomole7.4  CO_cc2_TD_trip/basis    CO_cc2_TD_trip/control    CO_cc2_TD_trip/mos    CO_cc2_TD_trip/dscf.out    CO_cc2_TD_trip/ricc2.out    CO_cc2_TD_trip/coord

TDun      Gaussian    GenericTDunTest       basicGaussian09       CO_TD_delta.log
TDun      Gaussian    GenericTDunTest       basicGaussian16       CO_TD_delta.log
TDun	  Turbomole   TurbomoleTDunTest     basicTurbomole7.4     CO_TD_un/basis    CO_TD_un/control    CO_TD_un/alpha    CO_TD_un/beta    CO_TD_un/dscf.out    CO_TD_un/escf.out    CO_TD_un/coord
TDun	  Turbomole   TurbomoleTDunTest     basicTurbomole7.4     CO_cc2_TD_un/basis    CO_cc2_TD_un/control    CO_cc2_TD_un/alpha    CO_cc2_TD_un/beta    CO_cc2_TD_un/dscf.out    CO_cc2_TD_un/ricc2.out    CO_cc2_TD_un/coord 

vib       ADF         ADFIRTest             basicADF2007.01       dvb_ir.adfout
vib       ADF         ADFIRTest             basicADF2013.01       dvb_ir.adfout
vib       DALTON      GenericIRTest         basicDALTON-2013      dvb_ir.out
vib       DALTON      GenericIRTest         basicDALTON-2015      dvb_ir.out
vib       FChk        GaussianIRTest        basicGaussian09       dvb_ir.fchk
vib       FChk        GaussianIRTest        basicGaussian16       dvb_ir.fchk
vib       FChk        QChemIRTest           basicQChem5.4         dvb_ir.fchk
vib       GAMESSUK    GenericIRTest         basicGAMESS-UK7.0     dvb_ir.out
vib       GAMESSUK    GenericIRTest         basicGAMESS-UK8.0     dvb_ir.out
vib       GAMESS      FireflyIRTest         basicFirefly8.0       dvb_ir.out
vib       GAMESS      GamessIRTest          basicGAMESS-US2017    dvb_ir.out
vib       GAMESS      GamessIRTest          basicGAMESS-US2018    dvb_ir.out
vib       Gaussian    GaussianIRTest        basicGaussian09       dvb_ir.out
vib       Gaussian    GaussianIRTest        basicGaussian16       dvb_ir.out
vib       Gaussian    GaussianIRTest        basicGaussian16       dvb_ir_G16C01.out
vib       Jaguar      JaguarIRTest          basicJaguar7.0        dvb_ir.out
vib       Jaguar      JaguarIRTest          basicJaguar8.3        dvb_ir.out
vib       Molcas      MolcasIRTest          basicOpenMolcas18.0   dvb_ir.out
vib       Molpro      GenericIRTest         basicMolpro2006       dvb_ir.out            dvb_ir.log
vib       Molpro      GenericIRTest         basicMolpro2012       dvb_ir.out            dvb_ir.log
vib       NWChem      NWChemIRTest          basicNWChem7.0        dvb_ir.out
vib       ORCA        GenericIRTest         basicORCA4.1          dvb_ir.out
vib       ORCA        GenericIRTest         basicORCA4.2          dvb_ir.out
vib       ORCA        GenericIRTest         basicORCA5.0          dvb_ir.out
vib       Psi4        Psi4IRTest            basicPsi4-1.2.1       dvb_ir_rhf.out
vib       Psi4        Psi4IRTest            basicPsi4-1.3.1       dvb_ir_rhf.out
vib       Psi4        Psi4IRTest            basicPsi4-1.7         dvb_ir_rhf.out
vib       QChem       QChemIRTest           basicQChem5.1         dvb_ir.out
vib       QChem       QChemIRTest           basicQChem5.4         dvb_ir.out
vib       Turbomole   TurbomoleIRTest       basicTurbomole5.9     dvb_ir/basis            dvb_ir/control            dvb_ir/mos            dvb_ir/aoforce.out

vib       GAMESS      GenericIRimgTest      basicGAMESS-US2017    nh3_ts_ir.out
vib       GAMESS      GenericIRimgTest      basicGAMESS-US2018    nh3_ts_ir.out

vib       DALTON      DALTONRamanTest       basicDALTON-2013      dvb_raman.out
vib       FChk        GaussianRamanTest     basicGaussian16       dvb_raman.fchk
vib       GAMESSUK    GenericRamanTest      basicGAMESS-UK7.0     dvb_raman.out
vib       GAMESSUK    GenericRamanTest      basicGAMESS-UK8.0     dvb_raman.out
vib       GAMESS      GenericRamanTest      basicFirefly8.0       dvb_raman.out
vib       Gaussian    GaussianRamanTest     basicGaussian09       dvb_raman.out
vib       Gaussian    GaussianRamanTest     basicGaussian16       dvb_raman.out
vib       ORCA        OrcaRamanTest         basicORCA4.1          dvb_raman.out
vib       ORCA        OrcaRamanTest         basicORCA4.2          dvb_raman.out
vib       ORCA        OrcaRamanTest         basicORCA5.0          dvb_raman.out
vib       QChem       QChemRamanTest        basicQChem5.1         dvb_raman.out
vib       QChem       QChemRamanTest        basicQChem5.4         dvb_raman.out
