ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

must not try to delete computes if they have not been created and their ids not yet set

Browse Source
This commit is contained in:
Axel Kohlmeyer
2020-08-26 11:50:20 -04:00
parent c8af729701
commit f89a0f9fe3
1 changed files with 5 additions and 2 deletions
Download Patch File Download Diff File Expand all files Collapse all files

7
src/reset_mol_ids.cpp
View File

@ -41,14 +41,17 @@ ResetMolIDs::ResetMolIDs(LAMMPS *lmp) : Pointers(lmp) {
compressflag = 1;
singleflag = 0;
offset = -1;
idfrag.clear();
idchunk.clear();
}
/* ---------------------------------------------------------------------- */
ResetMolIDs::~ResetMolIDs()
{
modify->delete_compute(idfrag);
if (compressflag) modify->delete_compute(idchunk);
if (!idfrag.empty()) modify->delete_compute(idfrag);
if (compressflag && !idchunk.empty()) modify->delete_compute(idchunk);
}
/* ----------------------------------------------------------------------