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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@147 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2006-11-13 16:12:58 +00:00
parent ebcbf94231
commit 458ec376dd
1 changed files with 7 additions and 7 deletions
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14
src/output.cpp
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@ -102,8 +102,7 @@ void Output::setup(int flag)
{
int ntimestep = update->ntimestep;
// perform dump at start of run if multiple of every
// and last dump was not on this timestep
// perform dump at start of run if last dump was not on this timestep
// set next_dump to multiple of every
// will not write on last step of run unless multiple of every
// set next_dump_any to smallest next_dump
@ -111,8 +110,7 @@ void Output::setup(int flag)
if (ndump) {
for (int idump = 0; idump < ndump; idump++) {
if (ntimestep % dump_every[idump] == 0 &&
last_dump[idump] != ntimestep) {
if (last_dump[idump] != ntimestep) {
dump[idump]->write();
last_dump[idump] = ntimestep;
}
@ -158,25 +156,26 @@ void Output::setup(int flag)
/* ----------------------------------------------------------------------
perform all output for this timestep
only perform output if next matches current step and last doesn't
insure next values force output on last step of run
do dump/restart before thermo so thermo CPU time will include them
------------------------------------------------------------------------- */
void Output::write(int ntimestep)
{
// next_dump does not force output on last step of run
if (next_dump_any == ntimestep) {
for (int idump = 0; idump < ndump; idump++) {
if (next_dump[idump] == ntimestep && last_dump[idump] != ntimestep) {
dump[idump]->write();
last_dump[idump] = ntimestep;
next_dump[idump] += dump_every[idump];
next_dump[idump] = MYMIN(next_dump[idump],update->laststep);
}
if (idump) next_dump_any = MYMIN(next_dump_any,next_dump[idump]);
else next_dump_any = next_dump[0];
}
}
// next_restart does not force output on last step of run
// for toggle = 0, replace "*" with current timestep in restart filename
if (next_restart == ntimestep && last_restart != ntimestep) {
@ -197,9 +196,10 @@ void Output::write(int ntimestep)
}
last_restart = ntimestep;
next_restart += restart_every;
next_restart = MYMIN(next_restart,update->laststep);
}
// insure next_thermo forces output on last step of run
if (next_thermo == ntimestep && last_thermo != ntimestep) {
thermo->compute(1);
last_thermo = ntimestep;