#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.
