votca 2024.2-dev
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This is the complete list of members for votca::xtp::Orb2Mol, including all inherited members.
aux_basisset_name_ | votca::xtp::Orb2Mol | private |
basisset_name_ | votca::xtp::Orb2Mol | private |
Calculator()=default | votca::tools::Calculator | |
Evaluate() | votca::xtp::QMTool | |
Identify() const | votca::xtp::Orb2Mol | inlinevirtual |
Initialize(const tools::Property &options) final | votca::xtp::QMTool | virtual |
job_name_ | votca::xtp::QMTool | protected |
log_ | votca::xtp::Orb2Mol | private |
maverick_ | votca::tools::Calculator | protected |
moldenfile_ | votca::xtp::Orb2Mol | private |
nThreads_ | votca::tools::Calculator | protected |
Orb2Mol()=default | votca::xtp::Orb2Mol | |
orbfile_ | votca::xtp::Orb2Mol | private |
Package() const final | votca::xtp::QMTool | inlinevirtual |
ParseOptions(const tools::Property &user_options) | votca::xtp::Orb2Mol | protectedvirtual |
QMTool()=default | votca::xtp::QMTool | |
Run() | votca::xtp::Orb2Mol | protectedvirtual |
setnThreads(Index nThreads) | votca::tools::Calculator | inline |
xyzfile_ | votca::xtp::Orb2Mol | private |
~Calculator()=default | votca::tools::Calculator | virtual |
~Orb2Mol()=default | votca::xtp::Orb2Mol | |
~QMTool() override=default | votca::xtp::QMTool |