votca::xtp::QMAtom::data Struct Reference

#include <qmatom.h>

Public Attributes
Index	index
char *	element
double	x
double	y
double	z
Index	nuccharge
Index	ecpcharge

Detailed Description

Definition at line 41 of file qmatom.h.

Member Data Documentation

ecpcharge

Index votca::xtp::QMAtom::data::ecpcharge

Definition at line 48 of file qmatom.h.

element

char* votca::xtp::QMAtom::data::element

Definition at line 43 of file qmatom.h.

index

Index votca::xtp::QMAtom::data::index

Definition at line 42 of file qmatom.h.

nuccharge

Index votca::xtp::QMAtom::data::nuccharge

Definition at line 47 of file qmatom.h.

x

double votca::xtp::QMAtom::data::x

Definition at line 44 of file qmatom.h.

y

double votca::xtp::QMAtom::data::y

Definition at line 45 of file qmatom.h.

z

double votca::xtp::QMAtom::data::z

Definition at line 46 of file qmatom.h.

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

• xtp/include/votca/xtp/qmatom.h