#include <polarsite.h>

Public Attributes
Index	id

char *	element

double	posX

double	posY

double	posZ

Index	rank

double	Q00

double	Q11c

double	Q11s

double	Q10

double	Q20

double	Q21c

double	Q21s

double	Q22c

double	Q22s

double	Vx

double	Vy

double	Vz

double	Vx_noE

double	Vy_noE

double	Vz_noE

double	pxx

double	pxy

double	pxz

double	pyy

double	pyz

double	pzz

double	d_x_ind

double	d_y_ind

double	d_z_ind

Detailed Description

Definition at line 90 of file polarsite.h.

Member Data Documentation

◆ d_x_ind

double votca::xtp::PolarSite::data::d_x_ind

Definition at line 124 of file polarsite.h.

◆ d_y_ind

double votca::xtp::PolarSite::data::d_y_ind

Definition at line 125 of file polarsite.h.

◆ d_z_ind

double votca::xtp::PolarSite::data::d_z_ind

Definition at line 126 of file polarsite.h.

◆ element

char* votca::xtp::PolarSite::data::element

Definition at line 92 of file polarsite.h.

◆ id

Index votca::xtp::PolarSite::data::id

Definition at line 91 of file polarsite.h.

◆ posX

double votca::xtp::PolarSite::data::posX

Definition at line 93 of file polarsite.h.

◆ posY

double votca::xtp::PolarSite::data::posY

Definition at line 94 of file polarsite.h.

◆ posZ

double votca::xtp::PolarSite::data::posZ

Definition at line 95 of file polarsite.h.

◆ pxx

double votca::xtp::PolarSite::data::pxx

Definition at line 117 of file polarsite.h.

◆ pxy

double votca::xtp::PolarSite::data::pxy

Definition at line 118 of file polarsite.h.

◆ pxz

double votca::xtp::PolarSite::data::pxz

Definition at line 119 of file polarsite.h.

◆ pyy

double votca::xtp::PolarSite::data::pyy

Definition at line 120 of file polarsite.h.

◆ pyz

double votca::xtp::PolarSite::data::pyz

Definition at line 121 of file polarsite.h.

◆ pzz

double votca::xtp::PolarSite::data::pzz

Definition at line 122 of file polarsite.h.

◆ Q00

double votca::xtp::PolarSite::data::Q00

Definition at line 99 of file polarsite.h.

◆ Q10

double votca::xtp::PolarSite::data::Q10

Definition at line 102 of file polarsite.h.

◆ Q11c

double votca::xtp::PolarSite::data::Q11c

Definition at line 100 of file polarsite.h.

◆ Q11s

double votca::xtp::PolarSite::data::Q11s

Definition at line 101 of file polarsite.h.

◆ Q20

double votca::xtp::PolarSite::data::Q20

Definition at line 103 of file polarsite.h.

◆ Q21c

double votca::xtp::PolarSite::data::Q21c

Definition at line 104 of file polarsite.h.

◆ Q21s

double votca::xtp::PolarSite::data::Q21s

Definition at line 105 of file polarsite.h.

◆ Q22c

double votca::xtp::PolarSite::data::Q22c

Definition at line 106 of file polarsite.h.

◆ Q22s

double votca::xtp::PolarSite::data::Q22s

Definition at line 107 of file polarsite.h.

◆ rank

Index votca::xtp::PolarSite::data::rank

Definition at line 97 of file polarsite.h.

◆ Vx

double votca::xtp::PolarSite::data::Vx

Definition at line 109 of file polarsite.h.

◆ Vx_noE

double votca::xtp::PolarSite::data::Vx_noE

Definition at line 113 of file polarsite.h.

◆ Vy

double votca::xtp::PolarSite::data::Vy

Definition at line 110 of file polarsite.h.

◆ Vy_noE

double votca::xtp::PolarSite::data::Vy_noE

Definition at line 114 of file polarsite.h.

◆ Vz

double votca::xtp::PolarSite::data::Vz

Definition at line 111 of file polarsite.h.

◆ Vz_noE

double votca::xtp::PolarSite::data::Vz_noE

Definition at line 115 of file polarsite.h.

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

xtp/include/votca/xtp/polarsite.h

Public Attributes