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

remove some more trailing whitespace

Browse Source
This commit is contained in:
Axel Kohlmeyer
2018-12-01 08:14:02 -05:00
parent c69fc90588
commit 4ec05a3389
19 changed files with 75 additions and 75 deletions
Download Patch File Download Diff File Expand all files Collapse all files

34
src/compute_reduce_chunk.cpp
View File

@ -51,7 +51,7 @@ ComputeReduceChunk::ComputeReduceChunk(LAMMPS *lmp, int narg, char **arg) :
init_chunk();
// mode
if (strcmp(arg[4],"sum") == 0) mode = SUM;
else if (strcmp(arg[4],"min") == 0) mode = MINN;
else if (strcmp(arg[4],"max") == 0) mode = MAXX;
@ -118,7 +118,7 @@ ComputeReduceChunk::ComputeReduceChunk(LAMMPS *lmp, int narg, char **arg) :
}
// error check
for (int i = 0; i < nvalues; i++) {
if (which[i] == COMPUTE) {
int icompute = modify->find_compute(ids[i]);
@ -134,11 +134,11 @@ ComputeReduceChunk::ComputeReduceChunk(LAMMPS *lmp, int narg, char **arg) :
if (argindex[i] && modify->compute[icompute]->size_peratom_cols == 0)
error->all(FLERR,"Compute reduce/chunk compute does not "
"calculate a per-atom array");
if (argindex[i] &&
if (argindex[i] &&
argindex[i] > modify->compute[icompute]->size_peratom_cols)
error->all(FLERR,
"Compute reduce/chunk compute array is accessed out-of-range");
} else if (which[i] == FIX) {
int ifix = modify->find_fix(ids[i]);
if (ifix < 0)
@ -156,7 +156,7 @@ ComputeReduceChunk::ComputeReduceChunk(LAMMPS *lmp, int narg, char **arg) :
if (argindex[i] && argindex[i] > modify->fix[ifix]->size_peratom_cols)
error->all(FLERR,"Compute reduce/chunk fix array is "
"accessed out-of-range");
} else if (which[i] == VARIABLE) {
int ivariable = input->variable->find(ids[i]);
if (ivariable < 0)
@ -181,7 +181,7 @@ ComputeReduceChunk::ComputeReduceChunk(LAMMPS *lmp, int narg, char **arg) :
}
// setup
if (mode == SUM) initvalue = 0.0;
else if (mode == MINN) initvalue = BIG;
else if (mode == MAXX) initvalue = -BIG;
@ -199,7 +199,7 @@ ComputeReduceChunk::ComputeReduceChunk(LAMMPS *lmp, int narg, char **arg) :
ComputeReduceChunk::~ComputeReduceChunk()
{
delete [] idchunk;
delete [] which;
delete [] argindex;
for (int m = 0; m < nvalues; m++) delete [] ids[m];
@ -210,7 +210,7 @@ ComputeReduceChunk::~ComputeReduceChunk()
memory->destroy(vglobal);
memory->destroy(alocal);
memory->destroy(aglobal);
memory->destroy(varatom);
}
@ -284,11 +284,11 @@ void ComputeReduceChunk::compute_vector()
}
// perform local reduction of single peratom value
compute_one(0,vlocal,1);
// reduce the per-chunk values across all procs
if (mode == SUM)
MPI_Allreduce(vlocal,vglobal,nchunk,MPI_DOUBLE,MPI_SUM,world);
else if (mode == MINN)
@ -296,7 +296,7 @@ void ComputeReduceChunk::compute_vector()
else if (mode == MAXX)
MPI_Allreduce(vlocal,vglobal,nchunk,MPI_DOUBLE,MPI_MAX,world);
}
/* ---------------------------------------------------------------------- */
void ComputeReduceChunk::compute_array()
@ -324,11 +324,11 @@ void ComputeReduceChunk::compute_array()
}
// perform local reduction of all peratom values
for (int m = 0; m < nvalues; m++) compute_one(m,&alocal[0][m],nvalues);
// reduce the per-chunk values across all procs
if (mode == SUM)
MPI_Allreduce(&alocal[0][0],&aglobal[0][0],nchunk*nvalues,
MPI_DOUBLE,MPI_SUM,world);
@ -339,13 +339,13 @@ void ComputeReduceChunk::compute_array()
MPI_Allreduce(&alocal[0][0],&aglobal[0][0],nchunk*nvalues,
MPI_DOUBLE,MPI_MAX,world);
}
/* ---------------------------------------------------------------------- */
void ComputeReduceChunk::compute_one(int m, double *vchunk, int nstride)
{
// initialize per-chunk values in accumulation vector
for (int i = 0; i < nchunk; i += nstride) vchunk[i] = initvalue;
// loop over my atoms
@ -382,7 +382,7 @@ void ComputeReduceChunk::compute_one(int m, double *vchunk, int nstride)
combine(vchunk[index*nstride],acompute[i][argindexm1]);
}
}
// access fix fields, check if fix frequency is a match
} else if (which[m] == FIX) {