dihedral Struct Reference

#include <structures.h>

Public Attributes
int32	atom1
int32	atom2
int32	atom3
int32	atom4
Index	dihedral_type

Detailed Description

Definition at line 63 of file structures.h.

Member Data Documentation

atom1

int32 dihedral::atom1

Definition at line 65 of file structures.h.

Referenced by Parameters::assign_dihedral_index(), Molecule::atoms_1to4(), buildDihedralData(), Molecule::delete_qm_bonded(), DihedralElem::DihedralElem(), and ComputeHomeTuples< TholeElem, Thole, TholeValue >::loadTuples().

atom2

int32 dihedral::atom2

Definition at line 66 of file structures.h.

Referenced by Parameters::assign_dihedral_index(), Molecule::atoms_1to4(), buildDihedralData(), DihedralElem::DihedralElem(), dumpbench(), and ComputeHomeTuples< TholeElem, Thole, TholeValue >::loadTuples().

atom3

int32 dihedral::atom3

Definition at line 67 of file structures.h.

Referenced by Parameters::assign_dihedral_index(), Molecule::atoms_1to4(), buildDihedralData(), DihedralElem::DihedralElem(), dumpbench(), and ComputeHomeTuples< TholeElem, Thole, TholeValue >::loadTuples().

atom4

int32 dihedral::atom4

Definition at line 68 of file structures.h.

Referenced by Parameters::assign_dihedral_index(), Molecule::atoms_1to4(), buildDihedralData(), DihedralElem::DihedralElem(), dumpbench(), and ComputeHomeTuples< TholeElem, Thole, TholeValue >::loadTuples().

dihedral_type

Index dihedral::dihedral_type

Definition at line 69 of file structures.h.

Referenced by Parameters::assign_dihedral_index(), buildDihedralData(), DihedralElem::DihedralElem(), and dumpbench().

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

• structures.h