votca 2024.2-dev
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votca::xtp::Mol2Orb Member List

This is the complete list of members for votca::xtp::Mol2Orb, including all inherited members.

aux_basisset_name_votca::xtp::Mol2Orbprivate
basisset_name_votca::xtp::Mol2Orbprivate
Calculator()=defaultvotca::tools::Calculator
Evaluate()votca::xtp::QMTool
Identify() constvotca::xtp::Mol2Orbinlinevirtual
Initialize(const tools::Property &options) finalvotca::xtp::QMToolvirtual
job_name_votca::xtp::QMToolprotected
log_votca::xtp::Mol2Orbprivate
maverick_votca::tools::Calculatorprotected
Mol2Orb()=defaultvotca::xtp::Mol2Orb
moldenfile_votca::xtp::Mol2Orbprivate
nThreads_votca::tools::Calculatorprotected
orbfile_votca::xtp::Mol2Orbprivate
Package() const finalvotca::xtp::QMToolinlinevirtual
ParseOptions(const tools::Property &user_options)votca::xtp::Mol2Orbprotectedvirtual
QMTool()=defaultvotca::xtp::QMTool
Run()votca::xtp::Mol2Orbprotectedvirtual
setnThreads(Index nThreads)votca::tools::Calculatorinline
~Calculator()=defaultvotca::tools::Calculatorvirtual
~Mol2Orb()=defaultvotca::xtp::Mol2Orb
~QMTool() override=defaultvotca::xtp::QMTool