ICODE-ADC/lammps
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more use of modernized APIs

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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
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9
src/compute_msd_chunk.cpp
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@ -69,8 +69,8 @@ ComputeMSDChunk::~ComputeMSDChunk()
if (modify->nfix) modify->delete_fix(id_fix);
delete [] id_fix;
delete [] idchunk;
delete[] id_fix;
delete[] idchunk;
memory->destroy(massproc);
memory->destroy(masstotal);
memory->destroy(com);
@ -93,9 +93,8 @@ void ComputeMSDChunk::init()
// if firstflag, will be created in setup()
if (!firstflag) {
int ifix = modify->find_fix(id_fix);
if (ifix < 0) error->all(FLERR,"Could not find compute msd/chunk 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 msd/chunk fix with ID {}", id_fix);
}
}