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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8228 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-06-06 23:56:25 +00:00
parent ac68bb1981
commit a1209775b4
8 changed files with 15 additions and 12 deletions
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10
src/output.cpp
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@ -161,9 +161,11 @@ void Output::init()
perform output for setup of run/min
do dump first, so memory_usage will include dump allocation
do thermo last, so will print after memory_usage
headflag = 0/1 for printing out header line
memflag = 0/1 for printing out memory usage
------------------------------------------------------------------------- */
void Output::setup(int flag)
void Output::setup(int headflag, int memflag)
{
bigint ntimestep = update->ntimestep;
@ -245,16 +247,16 @@ void Output::setup(int flag)
// print memory usage unless being called between multiple runs
if (flag) memory_usage();
if (memflag) memory_usage();
// always do thermo with header at start of run
// always do thermo with header at start of run unless called via rerun
// set next_thermo to multiple of every or last step of run (if smaller)
// if every = 0, set next_thermo to last step of run
// thermo may invoke computes so wrap with clear/add
modify->clearstep_compute();
thermo->header();
if (headflag) thermo->header();
thermo->compute(0);
last_thermo = ntimestep;