From a933856363ce2497fc2f5331c31179a0c09ded80 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 2 Nov 2007 20:27:12 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1120 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/ASPHERE/fix_npt_asphere.cpp | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/src/ASPHERE/fix_npt_asphere.cpp b/src/ASPHERE/fix_npt_asphere.cpp index c2d3ec97c3..5e1e96cdb2 100755 --- a/src/ASPHERE/fix_npt_asphere.cpp +++ b/src/ASPHERE/fix_npt_asphere.cpp @@ -181,6 +181,10 @@ void FixNPTASphere::final_integrate() } couple(); + // trigger virial computation on next timestep + + pressure->add_step(update->ntimestep+1); + // update eta_dot f_eta = t_freq*t_freq * (t_current/t_target - 1.0);