atom_constants Struct Reference

#include <structures.h>

List of all members.

Public Attributes

Real mass
Real charge
Index vdw_type
int32 status
int32 partner
int32 hydrogenList

Detailed Description

Definition at line 36 of file structures.h.


Member Data Documentation

Definition at line 39 of file structures.h.

Referenced by Molecule::prepare_qm().

Definition at line 43 of file structures.h.

Referenced by outputCompressedFile().

Definition at line 38 of file structures.h.

Referenced by Molecule::prepare_qm().

Definition at line 42 of file structures.h.

Definition at line 41 of file structures.h.

Referenced by WorkDistrib::createAtomLists().

Definition at line 40 of file structures.h.

Referenced by Parameters::assign_vdw_index(), and outputCompressedFile().


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

Generated on 21 Oct 2019 for NAMD by  doxygen 1.6.1