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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15170 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-06-14 22:14:34 +00:00
parent c6e7b0c8b9
commit e8ea08fa8c
3 changed files with 14 additions and 12 deletions
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18
src/compute_chunk_atom.cpp
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@ -159,7 +159,7 @@ ComputeChunkAtom::ComputeChunkAtom(LAMMPS *lmp, int narg, char **arg) :
char *ptr = strchr(suffix,'[');
if (ptr) {
if (suffix[strlen(suffix)-1] != ']')
error->all(FLERR,"Illegal fix ave/atom command");
error->all(FLERR,"Illegal compute chunk/atom command");
argindex = atoi(ptr+1);
*ptr = '\0';
} else argindex = 0;
@ -573,7 +573,7 @@ void ComputeChunkAtom::init()
// create/destroy fix STORE for persistent chunk IDs as needed
// need to do this if idsflag = ONCE or locks will be used by other commands
// need to wait until init() so that fix ave/chunk command(s) are in place
// need to wait until init() so that fix command(s) are in place
// they increment lockcount if they lock this compute
// fixstore ID = compute-ID + COMPUTE_STORE, fix group = compute group
// fixstore initializes all values to 0.0
@ -617,7 +617,7 @@ void ComputeChunkAtom::setup()
/* ----------------------------------------------------------------------
only called by classes that use per-atom computes in standard way
dump, variable, thermo output, other computes, etc
not called by fix ave/chunk or compute chunk commands
not called by fix chunk or compute chunk commands
they invoke setup_chunks() and compute_ichunk() directly
------------------------------------------------------------------------- */
@ -645,11 +645,11 @@ 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
called by fix for duration of time it requires lock
OK if called by multiple fix commands
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
stopstep can be positive for final step of finite-size time window
or can be -1 for infinite-size time window
------------------------------------------------------------------------- */
@ -663,7 +663,7 @@ void ComputeChunkAtom::lock(Fix *fixptr, bigint startstep, bigint stopstep)
}
if (startstep != lockstart || stopstep != lockstop)
error->all(FLERR,"Two fix ave commands using "
error->all(FLERR,"Two fix commands using "
"same compute chunk/atom command in incompatible ways");
// set lock to last calling Fix, since it will be last to unlock()
@ -673,7 +673,7 @@ void ComputeChunkAtom::lock(Fix *fixptr, bigint startstep, bigint stopstep)
/* ----------------------------------------------------------------------
unset lock
can only be done by fix ave/chunk command that holds the lock
can only be done by fix command that holds the lock
------------------------------------------------------------------------- */
void ComputeChunkAtom::unlock(Fix *fixptr)
@ -791,7 +791,7 @@ void ComputeChunkAtom::compute_ichunk()
all atoms will be assigned a chunk ID from 1 to Nchunk, or 0
also setup any internal state needed to quickly assign atoms to chunks
called from compute_peratom() and also directly from
fix ave/chunk and compute chunk commands
fix chunk and compute chunk commands
------------------------------------------------------------------------- */
int ComputeChunkAtom::setup_chunks()