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listed_internal.h File Reference
#include <memory>
#include "gromacs/math/vectypes.h"
#include "gromacs/mdtypes/enerdata.h"
#include "gromacs/topology/idef.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/utility/bitmask.h"
+ Include dependency graph for listed_internal.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

class  WorkDivision
 The division of bonded interactions of the threads. More...
 
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 (const 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 ( 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.