Package org.jmol.adapter.readers.quantum
package org.jmol.adapter.readers.quantum
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ClassesClassDescriptionTODO: adf-2007.out causes failure reading basis functions A reader for ADF output.A reader for AMS output subclassing the older AdfReader.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 dataReader for Gaussian 94/98/03/09 output files.Reader for Gaussian Wfn files -- not implemented yetNBO 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 structureJaguar reader tested for the two samples files in CVS.A molecular structure and orbital reader for MolDen files.Reads Mopac 2007 GRAPHF output filesGeneral 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 filesReader 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.