{
if (strcmp(*ga->atomname[i], name) == 0)
{
- if (nullptr != debug)
- {
- fprintf(debug, "Trying to add atomtype %s again. Skipping it.\n", name);
- }
break;
}
}
if (i == nn)
{
- if (debug)
- {
- fprintf(debug, "Renumbering atomtype %d to %d\n", thistype, nn);
- }
if (nn == ntype)
{
gmx_fatal(FARGS, "Atomtype horror n = %d, %s, %d", nn, __FILE__, __LINE__);
snew(new_atomnumber, nat);
snew(new_atomname, nat);
-
/* We now have a list of unique atomtypes in typelist */
- if (debug)
- {
- pr_ivec(debug, 0, "typelist", typelist, nat, TRUE);
- }
-
/* Renumber nlist */
nbsnew = nullptr;
snew(nbsnew, plist[ftype].nr);