atommode Struct Reference

#include <modes.h>

List of all members.

Public Attributes
int	i
int	j
	index (to an assignment array, perhaps)
double	I
	normalized motion intensity for this atom (regular intensity is elsewhere)
int	ns
int *	s
	number of significant stretches, indices for those in VS
int	nb
int *	b
	number of significant bends, indices for those in VS
int	nt
int *	t
	number of significant torsions, indices for those in VS
int	loc

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Detailed Description

Definition at line 223 of file modes.h.

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Member Data Documentation

int * atommode::b

number of significant bends, indices for those in VS

Definition at line 227 of file modes.h.

int atommode::i

Definition at line 224 of file modes.h.

double atommode::I

normalized motion intensity for this atom (regular intensity is elsewhere)

Definition at line 225 of file modes.h.

int atommode::j

index (to an assignment array, perhaps)

Definition at line 224 of file modes.h.

int atommode::loc

Definition at line 229 of file modes.h.

int atommode::nb

Definition at line 227 of file modes.h.

int atommode::ns

Definition at line 226 of file modes.h.

int atommode::nt

Definition at line 228 of file modes.h.

int * atommode::s

number of significant stretches, indices for those in VS

Definition at line 226 of file modes.h.

int * atommode::t

number of significant torsions, indices for those in VS

Definition at line 228 of file modes.h.

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

• inc/modes.h