angle Struct Reference

#include <structures.h>

Public Attributes
int32	atom1
int32	atom2
int32	atom3
Index	angle_type

Detailed Description

Definition at line 55 of file structures.h.

Member Data Documentation

angle_type

Index angle::angle_type

Definition at line 60 of file structures.h.

Referenced by AngleElem::AngleElem(), Parameters::assign_angle_index(), buildAngleData(), and dumpbench().

atom1

int32 angle::atom1

Definition at line 57 of file structures.h.

Referenced by AngleElem::AngleElem(), Parameters::assign_angle_index(), Molecule::atoms_1to4(), buildAngleData(), Molecule::delete_qm_bonded(), and ComputeHomeTuples< TholeElem, Thole, TholeValue >::loadTuples().

atom2

int32 angle::atom2

Definition at line 58 of file structures.h.

Referenced by AngleElem::AngleElem(), Parameters::assign_angle_index(), Molecule::atoms_1to4(), buildAngleData(), dumpbench(), and ComputeHomeTuples< TholeElem, Thole, TholeValue >::loadTuples().

atom3

int32 angle::atom3

Definition at line 59 of file structures.h.

Referenced by AngleElem::AngleElem(), Parameters::assign_angle_index(), Molecule::atoms_1to4(), buildAngleData(), dumpbench(), and ComputeHomeTuples< TholeElem, Thole, TholeValue >::loadTuples().

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

• structures.h