listed_internal.h File Reference

#include <memory>
#include "gromacs/math/vectypes.h"
#include "gromacs/mdtypes/enerdata.h"
#include "gromacs/mdtypes/threaded_force_buffer.h"
#include "gromacs/topology/idef.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/utility/alignedallocator.h"
#include "gromacs/utility/bitmask.h"
#include "gromacs/utility/classhelpers.h"
#include "gromacs/utility/enumerationhelpers.h"

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Description

This file contains declarations for functions needed internally by the module.

Author

Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m

Berk Hess hess@.nosp@m.kth..nosp@m.se

Classes
class	WorkDivision
	The division of bonded interactions of the threads. More...
struct	bonded_threading_t
	struct contain all data for bonded force threading More...

Functions
int	glatnr (const int *global_atom_index, int i)
	Returns the global topology atom number belonging to local atom index i. More...

Function Documentation

int glatnr	(	const int *	global_atom_index,
		int	i
	)

Returns the global topology atom number belonging to local atom index i.

This function is intended for writing ascii output and returns atom numbers starting at 1. When global_atom_index=NULL returns i+1.