Package org.jmol.adapter.readers.quantum


package org.jmol.adapter.readers.quantum
  • Classes
    Class
    Description
    TODO: adf-2007.out causes failure reading basis functions A reader for ADF output.
     
    CSF file reader based on CIF idea -- fluid property fields.
    A reader for Dgrid BASISFILE data.
     
     
     
    Reader for Gaussian fchk files for vibrational modes, add Freq=(SaveNormalModes,Raman,VibRot) also allows appended freq data
    Reader for Gaussian 94/98/03/09 output files.
    Reader for Gaussian Wfn files -- not implemented yet
    NBO file nn reader will pull in other files as necessary acknowledgments: Grange Hermitage, Frank Weinhold upgrade to NBO 6 allows reading of resonance structures, including base structure
    Jaguar reader tested for the two samples files in CVS.
    A molecular structure and orbital reader for MolDen files.
    Reads Mopac 2007 GRAPHF output files
     
    General methods for reading molecular orbital data, including embedded output from the NBO program.
     
    A reader for NWChem 4.6 NWChem is a quantum chemistry program developed at Pacific Northwest National Laboratory.
    Reads ORCA input and output files
    Reader for Psi3 output files.
    A reader for Q-Chem 2.1 and 3.2 Q-Chem is a quantum chemistry program developed by Q-Chem, Inc.
    A molecular structure and orbital reader for MolDen files.
     
    A molecular orbital reader for WebMO files.