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add check that shrinkwrap boundaries are not use when reading a data file while a MSM kspace style is defined

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This commit is contained in:
Axel Kohlmeyer
2020-09-12 11:06:20 -04:00
parent bc1b876a3d
commit 16d2fef5ad
1 changed files with 4 additions and 1 deletions
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5
src/read_data.cpp
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@ -294,8 +294,11 @@ void ReadData::command(int narg, char **arg)
// error checks
if (domain->dimension == 2 && domain->zperiodic == 0)
if ((domain->dimension == 2) && (domain->zperiodic == 0))
error->all(FLERR,"Cannot run 2d simulation with nonperiodic Z dimension");
if ((domain->nonperiodic == 2) && utils::strmatch(force->kspace_style,"^msm"))
error->all(FLERR,"Reading a data file with shrinkwrap boundaries is "
"not compatible with a MSM KSpace style");
if (domain->box_exist && !addflag)
error->all(FLERR,"Cannot read_data without add keyword "
"after simulation box is defined");