From 16d2fef5ade6c17ee5efccc80c1cb9a08db54761 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 12 Sep 2020 11:06:20 -0400 Subject: [PATCH] add check that shrinkwrap boundaries are not use when reading a data file while a MSM kspace style is defined --- src/read_data.cpp | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/src/read_data.cpp b/src/read_data.cpp index 2a6801b3a5..c80432f098 100644 --- a/src/read_data.cpp +++ b/src/read_data.cpp @@ -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");