git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12348 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2014-08-25 16:01:17 +00:00
parent 508ea4a575
commit 4ea728dc80
18 changed files with 73 additions and 52 deletions
--- a/src/KSPACE/pppm_tip4p.cpp
+++ b/src/KSPACE/pppm_tip4p.cpp
@ -73,6 +73,9 @@ void PPPMTIP4P::particle_map()
  double **x = atom->x;
  int nlocal = atom->nlocal;

+  if (!isfinite(boxlo[0]) || !isfinite(boxlo[1]) || !isfinite(boxlo[2]))
+    error->one(FLERR,"Non-numeric box dimensions. Simulation unstable.");
+
  int flag = 0;
  for (int i = 0; i < nlocal; i++) {
    if (type[i] == typeO) {