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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1272 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-01-02 19:24:46 +00:00
parent 428ca84042
commit b2e9f7dc10
145 changed files with 2801 additions and 2615 deletions
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4
src/output.cpp
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@ -133,6 +133,7 @@ void Output::setup(int flag)
// will not write on last step of run unless multiple of every
// set next_dump_any to smallest next_dump
// if no dumps, set next_dump_any to last+1 so will not influence next
// dump custom may invoke computes so wrap with clear/add
if (ndump) {
for (int idump = 0; idump < ndump; idump++) {
@ -168,6 +169,7 @@ void Output::setup(int flag)
// always do thermo with header at start of run
// 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();
@ -197,6 +199,7 @@ void Output::setup(int flag)
void Output::write(int ntimestep)
{
// next_dump does not force output on last step of run
// dump custom may invoke computes so wrap with clear/add
if (next_dump_any == ntimestep) {
for (int idump = 0; idump < ndump; idump++) {
@ -238,6 +241,7 @@ void Output::write(int ntimestep)
}
// insure next_thermo forces output on last step of run
// thermo may invoke computes so wrap with clear/add
if (next_thermo == ntimestep && last_thermo != ntimestep) {
modify->clearstep_compute();