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pre-existing bug fix for delay option with dump computes for pe/virial

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Steve Plimpton
2022-07-28 16:53:39 -06:00
parent 4de0944f8b
commit b8f4efcb6a
1 changed files with 5 additions and 6 deletions
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11
src/dump.cpp
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@ -341,10 +341,6 @@ void Dump::write()
imageint *imagehold; imageint *imagehold;
double **xhold,**vhold; double **xhold,**vhold;
// if timestep < delaystep, just return
if (delay_flag && update->ntimestep < delaystep) return;
// simulation box bounds // simulation box bounds
if (domain->triclinic == 0) { if (domain->triclinic == 0) {
@ -370,9 +366,12 @@ void Dump::write()
nme = count(); nme = count();
// if timestep < delaystep, just return
// if skip condition is defined and met, just return // if skip condition is defined and met, just return
// do this after count() b/c it invokes computes, // must do both these tests after count() b/c it invokes computes,
// so caller can trigger future invocation of needed computes // this enables caller to trigger future invocation of needed computes
if (delay_flag && update->ntimestep < delaystep) return;
if (skipflag) { if (skipflag) {
double value = input->variable->compute_equal(skipindex); double value = input->variable->compute_equal(skipindex);