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@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2015-03-23 23:30:50 +00:00
parent 94d653c282
commit 84a5ec39ec
168 changed files with 1313 additions and 1218 deletions
Download Patch File Download Diff File Expand all files Collapse all files

6
src/compute_chunk_atom.cpp
View File

@ -548,7 +548,7 @@ void ComputeChunkAtom::compute_peratom()
set lock, so that nchunk will not change from startstep to stopstep
called by fix ave/chunk for duration of its Nfreq epoch
OK if called by multiple fix ave/chunk commands
but error if all callers do not have same duration
error if all callers do not have same duration
last caller holds the lock, so it can also unlock
lockstop can be positive for final step of finite-size time window
or can be -1 for infinite-size time window
@ -564,7 +564,7 @@ void ComputeChunkAtom::lock(Fix *fixptr, bigint startstep, bigint stopstep)
}
if (startstep != lockstart || stopstep != lockstop)
error->all(FLERR,"Two fix ave/chunk commands using "
error->all(FLERR,"Two fix ave commands using "
"same compute chunk/atom command in incompatible ways");
// set lock to last calling Fix, since it will be last to unlock()
@ -1119,7 +1119,7 @@ int ComputeChunkAtom::setup_bins()
hi = origin[m] - n*delta[m];
}
if (lo > hi) error->all(FLERR,"Invalid bin bounds in fix ave/spatial");
if (lo > hi) error->all(FLERR,"Invalid bin bounds in compute chunk/atom");
offset[m] = lo;
nlayers[m] = static_cast<int> ((hi-lo) * invdelta[m] + 0.5);