patch to add DPD-VV

This commit is contained in:
Steve Plimpton
2016-10-12 07:35:47 -06:00
parent 4a5d9eaae2
commit 63e71cd45b
6 changed files with 117 additions and 52 deletions

View File

@ -139,7 +139,7 @@ void FixTempRescale::end_of_step()
if (temperature->dof < 1) return;
// protect against division by zero.
// protect against division by zero
if (t_current == 0.0)
error->all(FLERR,"Computed temperature for fix temp/rescale cannot be 0.0");