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QC++ File List
Here is a list of all files with brief descriptions:
AApartition.cpp
[code]
AApartition.h
[code]
Atoms.cpp
[code]
Atoms.h
[code]
atomsElement.cpp
[code]
atomsElement.h
[code]
BoxPartition.cpp
[code]
BoxPartition.h
[code]
commonDef.h
[code]
config.h
[code]
tools/convertPartition.cpp
[code]
test/convertPartition.cpp
[code]
dixonPart.cpp
[code]
extractPartition.cpp
[code]
fragmentClass.cpp
[code]
fragmentClass.h
[code]
fragmentDataBase.cpp
[code]
fragmentDataBase.h
[code]
LinearPart.cpp
[code]
newTools.cpp
[code]
newTools.h
[code]
PartitionBaseT.cpp
[code]
PartitionBaseT.h
[code]
partitioner.c
[code]
partitioner.h
[code]
partitionner.c
[code]
partitionner.h
[code]
pdb2qci.cpp
[code]
pdbstruct.cpp
[code]
pdbstruct.h
[code]
QCAm1.cpp
[code]
QCAm1.hpp
[code]
QCAm1Param.cpp
[code]
QCAm1Param.hpp
[code]
QCAtoms.cpp
[code]
QCAtoms.hpp
[code]
QCBlas.hpp
[code]
QCChrono.hpp
[code]
QCCommon.cpp
[code]
QCCommon.hpp
[code]
QCDCAlgo.cpp
[code]
QCDCAlgo.hpp
[code]
QCDefine.hpp
[code]
QCDensityGtr.cpp
[code]
QCDensityGtr.hpp
[code]
QCDistMDSystem.cpp
[code]
QCDistMDSystem.hpp
[code]
QCEnergies.hpp
[code]
QCErrorManager.cpp
[code]
QCErrorManager.hpp
[code]
QCFiles.cpp
[code]
QCFiles.hpp
[code]
QCFockGtr.cpp
[code]
QCFockGtr.hpp
[code]
QCFortran.hpp
[code]
QCGeneralData.cpp
[code]
QCGeneralData.hpp
[code]
QCGlobalSystem.cpp
[code]
QCGlobalSystem.hpp
[code]
QCHamiltonGtr.cpp
[code]
QCHamiltonGtr.hpp
[code]
qci2xyz.cpp
[code]
QCIntgReader.cpp
[code]
QCIntgReader.hpp
[code]
QCIntgWriter.cpp
[code]
QCIntgWriter.hpp
[code]
QCKimikaPartitioner.cpp
[code]
QCKimikaPartitioner.hpp
[code]
QCLapack.hpp
[code]
QCLinearPartitioner.cpp
[code]
QCLinearPartitioner.hpp
[code]
QCMacro.hpp
[code]
QCManager.cpp
[code]
QCManager.hpp
[code]
QCMatElemGtr.cpp
[code]
QCMatElemGtr.hpp
[code]
QCMatrix.cpp
[code]
QCMatrix.hpp
[code]
QCMDSystem.cpp
[code]
QCMDSystem.hpp
[code]
QCMemory.cpp
[code]
QCMemory.hpp
[code]
QCMndo.cpp
[code]
QCMndo.hpp
[code]
QCMndoParam.cpp
[code]
QCMndoParam.hpp
[code]
QCModel.cpp
[code]
QCModel.hpp
[code]
QCModelMatrices.cpp
[code]
QCModelMatrices.hpp
[code]
QCOrdering.hpp
[code]
QCOverlapGtr.cpp
[code]
QCOverlapGtr.hpp
[code]
QCParameter.cpp
[code]
QCParameter.hpp
[code]
QCPartitioner.cpp
[code]
QCPartitioner.hpp
[code]
QCPartSubDomain.cpp
[code]
QCPartSubDomain.hpp
[code]
QCPm3.cpp
[code]
QCPm3.hpp
[code]
QCPm3Param.cpp
[code]
QCPm3Param.hpp
[code]
QCPoint.cpp
[code]
QCPoint.hpp
[code]
QCReader.cpp
[code]
QCReader.hpp
[code]
QCRepInterElec.cpp
[code]
QCRepInterElec.hpp
[code]
QCSCFAlgo.cpp
[code]
QCSCFAlgo.hpp
[code]
QCSCFBaseAlgo.cpp
[code]
QCSCFBaseAlgo.hpp
[code]
QCSubDomain.cpp
[code]
QCSubDomain.hpp
[code]
QCSymMatrix.cpp
[code]
QCSymMatrix.hpp
[code]
QCSystem.cpp
[code]
QCSystem.hpp
[code]
QCTable.cpp
[code]
QCTable.hpp
[code]
QCTools.cpp
[code]
QCTools.hpp
[code]
QCTrace.cpp
[code]
QCTrace.hpp
[code]
renumLinearMolecule.cpp
[code]
subDomain.cpp
[code]
subDomain.h
[code]
testQCDistMDSystem.cpp
[code]
testQCGlobalSystem.cpp
[code]
testQCMDSystem.cpp
[code]
tools.cpp
[code]
tools.h
[code]
xyz2qci.cpp
[code]
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