ringmotion Struct Reference

#include <modes.h>

Collaboration diagram for ringmotion:

List of all members.

Public Attributes
int	i
	index
char *	Desc
	free-form description for mode
char *	RingDesc
	Description of ring type, e.g. phenyl, 0GB, etc.
double	I
	intensity of the motion (user-defined...)
double	e
	extent of ring-portion of overall motion
double	pvp
	motion parallel (~0) or perpendicular (~1) to plane
double	par
	breathing-type or side-to-side motion (if parallel)
double	sym
	symmetric (~1) or antisymmetric (~0) (par or perp)
int	symZ
int	symXY
	symmetries in the Z direction and XY plane
int	na
	number of main atoms involved
molindex *	mi
	na of these
int	nc
	number of vectormag_3D sets
vectormag_3D *	c
	nc of these (e.g., direction intensities of atoms)

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Detailed Description

Definition at line 74 of file modes.h.

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Member Data Documentation

vectormag_3D* ringmotion::c

nc of these (e.g., direction intensities of atoms)

Definition at line 87 of file modes.h.

char* ringmotion::Desc

free-form description for mode

Definition at line 76 of file modes.h.

double ringmotion::e

extent of ring-portion of overall motion

Definition at line 79 of file modes.h.

int ringmotion::i

index

Definition at line 75 of file modes.h.

double ringmotion::I

intensity of the motion (user-defined...)

Definition at line 78 of file modes.h.

molindex* ringmotion::mi

na of these

Definition at line 85 of file modes.h.

int ringmotion::na

number of main atoms involved

Definition at line 84 of file modes.h.

int ringmotion::nc

number of vectormag_3D sets

Definition at line 86 of file modes.h.

double ringmotion::par

breathing-type or side-to-side motion (if parallel)

Definition at line 81 of file modes.h.

double ringmotion::pvp

motion parallel (~0) or perpendicular (~1) to plane

Definition at line 80 of file modes.h.

char* ringmotion::RingDesc

Description of ring type, e.g. phenyl, 0GB, etc.

Definition at line 77 of file modes.h.

double ringmotion::sym

symmetric (~1) or antisymmetric (~0) (par or perp)

Definition at line 82 of file modes.h.

int ringmotion::symXY

symmetries in the Z direction and XY plane

Definition at line 83 of file modes.h.

int ringmotion::symZ

Definition at line 83 of file modes.h.

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

• inc/modes.h