*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
{
sprintf(wbuf, "%s should contain %d pull group indices with geometry %s",
buf, pcrd->ngroup, epullg_names[pcrd->eGeom]);
- set_warning_line(wi, NULL, -1);
+ set_warning_line(wi, nullptr, -1);
warning_error(wi, wbuf);
}
for (int g = 0; g < pcrd->ngroup; g++)
double t_start;
pull = ir->pull;
- pull_work = init_pull(NULL, pull, ir, 0, NULL, mtop, NULL, oenv, lambda, FALSE, 0);
- md = init_mdatoms(NULL, mtop, ir->efep);
- atoms2md(mtop, ir, -1, NULL, mtop->natoms, md);
+ pull_work = init_pull(nullptr, pull, ir, 0, nullptr, mtop, nullptr, oenv, lambda, FALSE, 0);
+ md = init_mdatoms(nullptr, mtop, ir->efep);
+ atoms2md(mtop, ir, -1, nullptr, mtop->natoms, md);
if (ir->efep)
{
update_mdatoms(md, lambda);
t_start = ir->init_t + ir->init_step*ir->delta_t;
- pull_calc_coms(NULL, pull_work, md, &pbc, t_start, x, NULL);
+ pull_calc_coms(nullptr, pull_work, md, &pbc, t_start, x, nullptr);
fprintf(stderr, "Pull group natoms pbc atom distance at start reference at t=0\n");
for (c = 0; c < pull->ncoord; c++)