From bb64d07020a62e5afa7ef6e88c8c2ef3b59e9dae Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 19 Jun 2012 00:14:30 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8314 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/fix_shake.cpp | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/src/fix_shake.cpp b/src/fix_shake.cpp index cb27eb3d7e..a4ec615b17 100644 --- a/src/fix_shake.cpp +++ b/src/fix_shake.cpp @@ -391,10 +391,11 @@ void FixShake::setup(int vflag) // setup SHAKE output bigint ntimestep = update->ntimestep; - next_output = ntimestep + output_every; - if (output_every == 0) next_output = update->laststep + 1; - if (output_every && ntimestep % output_every != 0) - next_output = (ntimestep/output_every)*output_every + output_every; + if (output_every) { + next_output = ntimestep + output_every; + if (ntimestep % output_every != 0) + next_output = (ntimestep/output_every)*output_every + output_every; + } else next_output = -1; // half timestep constraint on pre-step, full timestep thereafter