votca 2025.1-dev
Loading...
Searching...
No Matches
votca::xtp::Orb2Mol Member List

This is the complete list of members for votca::xtp::Orb2Mol, including all inherited members.

aux_basisset_name_votca::xtp::Orb2Molprivate
basisset_name_votca::xtp::Orb2Molprivate
Calculator()=defaultvotca::tools::Calculator
Evaluate()votca::xtp::QMTool
Identify() constvotca::xtp::Orb2Molinlinevirtual
Initialize(const tools::Property &options) finalvotca::xtp::QMToolvirtual
job_name_votca::xtp::QMToolprotected
log_votca::xtp::Orb2Molprivate
maverick_votca::tools::Calculatorprotected
moldenfile_votca::xtp::Orb2Molprivate
nThreads_votca::tools::Calculatorprotected
Orb2Mol()=defaultvotca::xtp::Orb2Mol
orbfile_votca::xtp::Orb2Molprivate
Package() const finalvotca::xtp::QMToolinlinevirtual
ParseOptions(const tools::Property &user_options)votca::xtp::Orb2Molprotectedvirtual
QMTool()=defaultvotca::xtp::QMTool
Run()votca::xtp::Orb2Molprotectedvirtual
setnThreads(Index nThreads)votca::tools::Calculatorinline
xyzfile_votca::xtp::Orb2Molprivate
~Calculator()=defaultvotca::tools::Calculatorvirtual
~Orb2Mol()=defaultvotca::xtp::Orb2Mol
~QMTool() override=defaultvotca::xtp::QMTool