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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8314 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-06-19 00:14:30 +00:00
parent 44a8e24e2a
commit bb64d07020
1 changed files with 5 additions and 4 deletions
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9
src/fix_shake.cpp
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@ -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