compute_io.cpp File Reference

#include "gmxpre.h"
#include "compute_io.h"
#include "gromacs/math/functions.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/md_enums.h"
#include "gromacs/mdtypes/pull_params.h"
#include "gromacs/topology/topology.h"
#include "gromacs/topology/topology_enums.h"
#include "gromacs/utility/enumerationhelpers.h"
#include "gromacs/utility/real.h"

Include dependency graph for compute_io.cpp:

Description

Defines compute_io.

Functions
static int	div_nsteps (int nsteps, int nst)
double	compute_io (const t_inputrec *ir, int natoms, const SimulationGroups &groups, int nrener, int nrepl)
	Return an estimate of the total output in MiB to be written from this simulation.