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only fail on too small periodic domain in z direction if 3d system.

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Axel Kohlmeyer
2023-06-29 22:07:04 -04:00
parent ab1e090e0e
commit 02498925c5
1 changed files with 2 additions and 1 deletions
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3
src/create_bonds.cpp
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@ -198,7 +198,8 @@ void CreateBonds::many()
error->warning(FLERR, "Create_bonds max distance > minimum neighbor cutoff");
if ((domain->xperiodic && (rmax > domain->xprd)) ||
(domain->yperiodic && (rmax > domain->yprd)) || (domain->zperiodic && (rmax > domain->zprd)))
(domain->yperiodic && (rmax > domain->yprd)) ||
((domain->dimension == 3) && domain->zperiodic && (rmax > domain->zprd)))
error->all(FLERR, "Bond creation cutoff is larger than periodic domain");
// require special_bonds 1-2 weights = 0.0 and KSpace = nullptr