pair TIP4P bug fix for cutoffs >> box size

This commit is contained in:
Steve Plimpton
2017-01-06 09:57:27 -07:00
parent 62dea1bb63
commit f6a819580c
45 changed files with 663 additions and 416 deletions

View File

@ -43,6 +43,7 @@ void Run::command(int narg, char **arg)
error->all(FLERR,"Run command before simulation box is defined");
// ignore run command, if walltime limit was already reached
if (timer->is_timeout()) return;
bigint nsteps_input = force->bnumeric(FLERR,arg[0]);