votca::xtp::Spectrum Member List

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

Calculator()=default	votca::tools::Calculator
Evaluate()	votca::xtp::QMTool
evtoinvcm(double eV)	votca::xtp::Spectrum	private
evtonm(double eV)	votca::xtp::Spectrum	private
fwhm_	votca::xtp::Spectrum	private
Gaussian(double x, double center, double fwhm)	votca::xtp::Spectrum	private
Identify() const	votca::xtp::Spectrum	inlinevirtual
Initialize(const tools::Property &options) final	votca::xtp::QMTool	virtual
invcmtonm(double invcm)	votca::xtp::Spectrum	private
job_name_	votca::xtp::QMTool	protected
log_	votca::xtp::Spectrum	private
Lorentzian(double x, double center, double fwhm)	votca::xtp::Spectrum	private
lower_	votca::xtp::Spectrum	private
maverick_	votca::tools::Calculator	protected
maxexc_	votca::xtp::Spectrum	private
minexc_	votca::xtp::Spectrum	private
n_pt_	votca::xtp::Spectrum	private
nmtoev(double nm)	votca::xtp::Spectrum	private
nmtoinvcm(double nm)	votca::xtp::Spectrum	private
nThreads_	votca::tools::Calculator	protected
orbfile_	votca::xtp::Spectrum	private
output_file_	votca::xtp::Spectrum	private
Package() const final	votca::xtp::QMTool	inlinevirtual
ParseOptions(const tools::Property &user_options)	votca::xtp::Spectrum	protectedvirtual
QMTool()=default	votca::xtp::QMTool
Run()	votca::xtp::Spectrum	protectedvirtual
setnThreads(Index nThreads)	votca::tools::Calculator	inline
shiftby_	votca::xtp::Spectrum	private
Spectrum()=default	votca::xtp::Spectrum
spectrum_type_	votca::xtp::Spectrum	private
upper_	votca::xtp::Spectrum	private
~Calculator()=default	votca::tools::Calculator	virtual
~QMTool() override=default	votca::xtp::QMTool
~Spectrum()=default	votca::xtp::Spectrum