NAMD
Public Attributes | List of all members
dihedral Struct Reference

#include <structures.h>

Public Attributes

int32 atom1
 
int32 atom2
 
int32 atom3
 
int32 atom4
 
Index dihedral_type
 

Detailed Description

Definition at line 61 of file structures.h.

Member Data Documentation

int32 dihedral::atom1

Definition at line 63 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().

int32 dihedral::atom2

Definition at line 64 of file structures.h.

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

int32 dihedral::atom3

Definition at line 65 of file structures.h.

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

int32 dihedral::atom4

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().

Index dihedral::dihedral_type

Definition at line 67 of file structures.h.

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

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