if (pull->bSetPbcRefToPrevStepCOM)
{
- initPullComFromPrevStep(nullptr, pull_work, gmx::arrayRefFromArray(md->massT, md->nr), &pbc, x);
+ initPullComFromPrevStep(nullptr, pull_work, gmx::arrayRefFromArray(md->massT, md->nr), pbc, x);
}
- pull_calc_coms(nullptr, pull_work, gmx::arrayRefFromArray(md->massT, md->nr), &pbc, t_start, x, {});
+ pull_calc_coms(nullptr, pull_work, gmx::arrayRefFromArray(md->massT, md->nr), pbc, t_start, x, {});
for (int g = 0; g < pull->ngroup; g++)
{
pcrd->init = 0;
}
- value = get_pull_coord_value(pull_work, c, &pbc);
+ value = get_pull_coord_value(pull_work, c, pbc);
value *= pull_conversion_factor_internal2userinput(*pcrd);
fprintf(stderr, " %10.3f %s", value, pull_coordinate_units(*pcrd));