#include <qmpair.h>

Public Attributes
Index	id

Index	Seg1Id

Index	Seg2Id

double	RX

double	RY

double	RZ

char *	pair_type

double	lambda0e

double	lambda0h

double	lambda0s

double	lambda0t

double	jeff2e

double	jeff2h

double	jeff2s

double	jeff2t

Detailed Description

Definition at line 52 of file qmpair.h.

Member Data Documentation

◆ id

Index votca::xtp::QMPair::data::id

Definition at line 53 of file qmpair.h.

◆ jeff2e

double votca::xtp::QMPair::data::jeff2e

Definition at line 67 of file qmpair.h.

◆ jeff2h

double votca::xtp::QMPair::data::jeff2h

Definition at line 68 of file qmpair.h.

◆ jeff2s

double votca::xtp::QMPair::data::jeff2s

Definition at line 69 of file qmpair.h.

◆ jeff2t

double votca::xtp::QMPair::data::jeff2t

Definition at line 70 of file qmpair.h.

◆ lambda0e

double votca::xtp::QMPair::data::lambda0e

Definition at line 62 of file qmpair.h.

◆ lambda0h

double votca::xtp::QMPair::data::lambda0h

Definition at line 63 of file qmpair.h.

◆ lambda0s

double votca::xtp::QMPair::data::lambda0s

Definition at line 64 of file qmpair.h.

◆ lambda0t

double votca::xtp::QMPair::data::lambda0t

Definition at line 65 of file qmpair.h.

◆ pair_type

char* votca::xtp::QMPair::data::pair_type

Definition at line 60 of file qmpair.h.

◆ RX

double votca::xtp::QMPair::data::RX

Definition at line 56 of file qmpair.h.

◆ RY

double votca::xtp::QMPair::data::RY

Definition at line 57 of file qmpair.h.

◆ RZ

double votca::xtp::QMPair::data::RZ

Definition at line 58 of file qmpair.h.

◆ Seg1Id

Index votca::xtp::QMPair::data::Seg1Id

Definition at line 54 of file qmpair.h.

◆ Seg2Id

Index votca::xtp::QMPair::data::Seg2Id

Definition at line 55 of file qmpair.h.

The documentation for this struct was generated from the following file:

xtp/include/votca/xtp/qmpair.h

Public Attributes