improper Struct Reference

#include <structures.h>

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

Detailed Description

Definition at line 72 of file structures.h.

Member Data Documentation

atom1

int32 improper::atom1

Definition at line 74 of file structures.h.

Referenced by Parameters::assign_improper_index(), buildImproperData(), Molecule::delete_qm_bonded(), and ImproperElem::ImproperElem().

atom2

int32 improper::atom2

Definition at line 75 of file structures.h.

Referenced by Parameters::assign_improper_index(), buildImproperData(), dumpbench(), and ImproperElem::ImproperElem().

atom3

int32 improper::atom3

Definition at line 76 of file structures.h.

Referenced by Parameters::assign_improper_index(), buildImproperData(), dumpbench(), and ImproperElem::ImproperElem().

atom4

int32 improper::atom4

Definition at line 77 of file structures.h.

Referenced by Parameters::assign_improper_index(), buildImproperData(), dumpbench(), and ImproperElem::ImproperElem().

improper_type

Index improper::improper_type

Definition at line 78 of file structures.h.

Referenced by Parameters::assign_improper_index(), buildImproperData(), dumpbench(), and ImproperElem::ImproperElem().

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

• structures.h