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

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Member Data Documentation

Real atom_constants::charge

Definition at line 40 of file structures.h. Referenced by Molecule::atomcharge().

int32 atom_constants::hydrogenList

Definition at line 44 of file structures.h. Referenced by outputCompressedFile().

Real atom_constants::mass

Definition at line 39 of file structures.h. Referenced by Molecule::atommass().

int32 atom_constants::partner

Definition at line 43 of file structures.h. Referenced by outputCompressedFile().

int32 atom_constants::status

Definition at line 42 of file structures.h.

Index atom_constants::vdw_type

Definition at line 41 of file structures.h. Referenced by Molecule::atomvdwtype().

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

• structures.h

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