more use of modernized APIs

This commit is contained in:
Axel Kohlmeyer
2022-03-16 15:24:42 -04:00
parent 7e2fef096f
commit 6d070c7043
12 changed files with 117 additions and 156 deletions

View File

@ -120,9 +120,8 @@ void ComputeDisplaceAtom::init()
{
// set fix which stores original atom coords
int ifix = modify->find_fix(id_fix);
if (ifix < 0) error->all(FLERR,"Could not find compute displace/atom fix ID");
fix = (FixStore *) modify->fix[ifix];
fix = (FixStore *) modify->get_fix_by_id(id_fix);
if (!fix) error->all(FLERR,"Could not find compute displace/atom fix with ID {}", id_fix);
if (refreshflag) {
ivar = input->variable->find(rvar);