listed-internal.h File Reference

#include "gromacs/math/vectypes.h"
#include "gromacs/mdtypes/forcerec.h"
#include "gromacs/topology/idef.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/utility/bitmask.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

Classes
struct	f_thread_t
	struct with output for bonded forces, used per thread More...
struct	bonded_threading_t
	struct contain all data for bonded force threading More...

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

Variables
static const int	reduction_block_size = 32
	Force buffer block size in atoms.
static const int	reduction_block_bits = 5
	log2(reduction_block_size)

Function Documentation

int glatnr	(	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.