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

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

Calculator()=defaultvotca::tools::Calculator
Evaluate()votca::xtp::QMTool
evtoinvcm(double eV)votca::xtp::Spectrumprivate
evtonm(double eV)votca::xtp::Spectrumprivate
fwhm_votca::xtp::Spectrumprivate
Gaussian(double x, double center, double fwhm)votca::xtp::Spectrumprivate
Identify() constvotca::xtp::Spectruminlinevirtual
Initialize(const tools::Property &options) finalvotca::xtp::QMToolvirtual
invcmtonm(double invcm)votca::xtp::Spectrumprivate
job_name_votca::xtp::QMToolprotected
log_votca::xtp::Spectrumprivate
Lorentzian(double x, double center, double fwhm)votca::xtp::Spectrumprivate
lower_votca::xtp::Spectrumprivate
maverick_votca::tools::Calculatorprotected
maxexc_votca::xtp::Spectrumprivate
minexc_votca::xtp::Spectrumprivate
n_pt_votca::xtp::Spectrumprivate
nmtoev(double nm)votca::xtp::Spectrumprivate
nmtoinvcm(double nm)votca::xtp::Spectrumprivate
nThreads_votca::tools::Calculatorprotected
orbfile_votca::xtp::Spectrumprivate
output_file_votca::xtp::Spectrumprivate
Package() const finalvotca::xtp::QMToolinlinevirtual
ParseOptions(const tools::Property &user_options)votca::xtp::Spectrumprotectedvirtual
QMTool()=defaultvotca::xtp::QMTool
Run()votca::xtp::Spectrumprotectedvirtual
setnThreads(Index nThreads)votca::tools::Calculatorinline
shiftby_votca::xtp::Spectrumprivate
Spectrum()=defaultvotca::xtp::Spectrum
spectrum_type_votca::xtp::Spectrumprivate
upper_votca::xtp::Spectrumprivate
~Calculator()=defaultvotca::tools::Calculatorvirtual
~QMTool() override=defaultvotca::xtp::QMTool
~Spectrum()=defaultvotca::xtp::Spectrum
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