#include "gromacs/utility/smalloc.h"
void make_wall_tables(FILE* fplog,
- const t_inputrec* ir,
+ const t_inputrec& ir,
const char* tabfn,
const SimulationGroups* groups,
t_forcerec* fr)
int negp_pp;
char buf[STRLEN];
- negp_pp = ir->opts.ngener - ir->nwall;
+ negp_pp = ir.opts.ngener - ir.nwall;
gmx::ArrayRef<const int> nm_ind = groups->groups[SimulationAtomGroupType::EnergyOutput];
if (fplog)
{
- fprintf(fplog, "Reading user tables for %d energy groups with %d walls\n", negp_pp, ir->nwall);
+ fprintf(fplog, "Reading user tables for %d energy groups with %d walls\n", negp_pp, ir.nwall);
}
- fr->wall_tab.resize(ir->nwall);
- for (int w = 0; w < ir->nwall; w++)
+ fr->wall_tab.resize(ir.nwall);
+ for (int w = 0; w < ir.nwall; w++)
{
fr->wall_tab[w].resize(negp_pp);
for (int egp = 0; egp < negp_pp; egp++)
{
/* If the energy group pair is excluded, we don't need a table */
- if (!(fr->egp_flags[egp * ir->opts.ngener + negp_pp + w] & EGP_EXCL))
+ if (!(fr->egp_flags[egp * ir.opts.ngener + negp_pp + w] & EGP_EXCL))
{
sprintf(buf, "%s", tabfn);
sprintf(buf + strlen(tabfn) - strlen(ftp2ext(efXVG)) - 1,