localtopology.h File Reference

#include "gromacs/math/vectypes.h"

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Description

This file makes declarations used for building the local topology.

Classes
class	gmx::ArrayRef< typename >
	STL-like interface to a C array of T (or part of a std container of T). More...

Functions
int	dd_make_local_top (const gmx_domdec_t &dd, const gmx_domdec_zones_t &zones, int npbcdim, matrix box, rvec cellsize_min, const ivec npulse, t_forcerec *fr, gmx::ArrayRef< const gmx::RVec > coordinates, const gmx_mtop_t &top, gmx::ArrayRef< const int64_t > atomInfo, gmx_localtop_t *ltop)
	Generate the local topology and virtual site data. More...

Function Documentation

int dd_make_local_top	(	const gmx_domdec_t &	dd,
		const gmx_domdec_zones_t &	zones,
		int	npbcdim,
		matrix	box,
		rvec	cellsize_min,
		const ivec	npulse,
		t_forcerec *	fr,
		gmx::ArrayRef< const gmx::RVec >	coordinates,
		const gmx_mtop_t &	top,
		gmx::ArrayRef< const int64_t >	atomInfo,
		gmx_localtop_t *	ltop
	)

Generate the local topology and virtual site data.

Returns

Total count of bonded interactions in the local topology on this domain