basisset.h File Reference

#include <iostream>
#include <map>
#include <memory>
#include <string>
#include <vector>
#include <votca/tools/types.h>

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Classes
class	votca::xtp::GaussianPrimitive
class	votca::xtp::Shell
class	votca::xtp::Element
class	votca::xtp::BasisSet

Namespaces
namespace	votca
	base class for all analysis tools
namespace	votca::xtp
	Charge transport classes.

Macros
#define	VOTCA_XTP_BASISSET_H

Enumerations
enum class	votca::xtp::L {   votca::xtp::S = 0 , votca::xtp::P = 1 , votca::xtp::D = 2 , votca::xtp::F = 3 ,   votca::xtp::G = 4 , votca::xtp::H = 5 , votca::xtp::I = 6 }

Functions
std::string	votca::xtp::EnumToString (L l)
L	votca::xtp::StringToEnum (const std::string &type)
L	votca::xtp::StringToEnum (char type)
bool	votca::xtp::CheckShellType (const std::string &shelltype)
Index	votca::xtp::OffsetFuncShell (L l)
Index	votca::xtp::NumFuncShell (L l)
Index	votca::xtp::NumFuncShell_cartesian (L l)
Index	votca::xtp::OffsetFuncShell_cartesian (L l)

Macro Definition Documentation

VOTCA_XTP_BASISSET_H

#define VOTCA_XTP_BASISSET_H

Definition at line 22 of file basisset.h.