gmx_localtop_t Struct Reference

#include <gromacs/topology/topology.h>

Description

The fully written out topology for a domain over its lifetime.

Also used in some analysis code.

Public Member Functions
	gmx_localtop_t ()
	Constructor used for normal operation, manages own resources.

Public Attributes
t_idef	idef
	The interaction function definition.
t_atomtypes	atomtypes
	Atomtype properties.
t_blocka	excls
	The exclusions.
bool	useInDomainDecomp_ = false
	Flag for domain decomposition so we don't free already freed memory.

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

• src/gromacs/topology/topology.h
• src/gromacs/topology/topology.cpp