ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13283 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2015-03-24 16:00:43 +00:00
parent 25b928b276
commit 69841d9e85
5 changed files with 24 additions and 8 deletions
Download Patch File Download Diff File Expand all files Collapse all files

10
src/fix_ave_chunk.cpp
View File

@ -298,7 +298,8 @@ FixAveChunk::FixAveChunk(LAMMPS *lmp, int narg, char **arg) :
// increment lock counter in compute chunk/atom
// only if nrepeat > 1 or ave = RUNNING/WINDOW,
// so that locking spans multiple timesteps
// so that locking spans multiple timesteps
// set lock here for ave = RUN/WINDOW or in end_of_step() for nrepeat > 1
int icompute = modify->find_compute(idchunk);
if (icompute < 0)
@ -308,7 +309,10 @@ FixAveChunk::FixAveChunk(LAMMPS *lmp, int narg, char **arg) :
error->all(FLERR,"Fix ave/chunk does not use chunk/atom compute");
if (nrepeat > 1 || ave == RUNNING || ave == WINDOW) cchunk->lockcount++;
if (ave == RUNNING || ave == WINDOW) cchunk->lock(this,update->ntimestep,-1);
if (ave == RUNNING || ave == WINDOW) {
nchunk = cchunk->setup_chunks();
cchunk->lock(this,update->ntimestep,-1);
}
// print file comment lines
@ -533,7 +537,7 @@ void FixAveChunk::end_of_step()
modify->addstep_compute(ntimestep+nfreq);
}
allocate();
if (nrepeat > 1 && ave == ONE)
if (nrepeat > 1 && ave == ONE)
cchunk->lock(this,ntimestep,ntimestep+(nrepeat-1)*nevery);
for (m = 0; m < nchunk; m++) {
count_many[m] = count_sum[m] = 0.0;