pair TIP4P bug fix for cutoffs >> box size

2017-01-06 09:57:27 -07:00
parent 62dea1bb63
commit f6a819580c
45 changed files with 663 additions and 416 deletions
--- a/src/fix_restrain.cpp
+++ b/src/fix_restrain.cpp
@ -45,7 +45,8 @@ enum{BOND,ANGLE,DIHEDRAL};

 FixRestrain::FixRestrain(LAMMPS *lmp, int narg, char **arg) :
  Fix(lmp, narg, arg),
-  rstyle(NULL), ids(NULL), kstart(NULL), kstop(NULL), target(NULL), cos_target(NULL), sin_target(NULL)
+  rstyle(NULL), ids(NULL), kstart(NULL), kstop(NULL), target(NULL), 
+  cos_target(NULL), sin_target(NULL)
 {
  if (narg < 4) error->all(FLERR,"Illegal fix restrain command");