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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12578 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-09-30 22:59:27 +00:00
parent 60b877f75f
commit 8a517e353c
2 changed files with 14 additions and 6 deletions
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3
src/dump_custom.cpp
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@ -410,8 +410,7 @@ int DumpCustom::count()
if (update->whichflag == 0) { if (update->whichflag == 0) {
for (i = 0; i < ncompute; i++) for (i = 0; i < ncompute; i++)
if (compute[i]->invoked_peratom != update->ntimestep) if (compute[i]->invoked_peratom != update->ntimestep)
error->all(FLERR,"Compute used in write_dump between runs " error->all(FLERR,"Compute used in dump between runs is not current");
"is not current");
} else { } else {
for (i = 0; i < ncompute; i++) { for (i = 0; i < ncompute; i++) {
if (!(compute[i]->invoked_flag & INVOKED_PERATOM)) { if (!(compute[i]->invoked_flag & INVOKED_PERATOM)) {

17
src/dump_local.cpp
View File

@ -231,12 +231,21 @@ int DumpLocal::count()
int i; int i;
// invoke Computes for local quantities // invoke Computes for local quantities
// only if within a run or minimize
// else require that computes are current
// this prevents a compute from being invoked by the WriteDump class
if (ncompute) { if (ncompute) {
for (i = 0; i < ncompute; i++) { if (update->whichflag == 0) {
if (!(compute[i]->invoked_flag & INVOKED_LOCAL)) { for (i = 0; i < ncompute; i++)
compute[i]->compute_local(); if (compute[i]->invoked_local != update->ntimestep)
compute[i]->invoked_flag |= INVOKED_LOCAL; error->all(FLERR,"Compute used in dump between runs is not current");
} else {
for (i = 0; i < ncompute; i++) {
if (!(compute[i]->invoked_flag & INVOKED_LOCAL)) {
compute[i]->compute_local();
compute[i]->invoked_flag |= INVOKED_LOCAL;
}
} }
} }
} }