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first version of fix ave/grid

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This commit is contained in:
Steve Plimpton
2022-08-01 10:02:12 -06:00
parent 41fb8acf9e
commit b1b778b45b
4 changed files with 844 additions and 6 deletions
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12
src/dump_grid.cpp
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@ -291,7 +291,7 @@ void DumpGrid::init_style()
}
} else {
if (field2source[0] == COMPUTE) {
if (field2source[i] == COMPUTE) {
icompute = compute[field2index[i]];
grid3d = (Grid3d *) icompute->get_grid_by_index(field2grid[i]);
} else {
@ -760,10 +760,10 @@ int DumpGrid::parse_fields(int narg, char **arg)
if (argi.get_dim() == 0 && ncol)
error->all(FLERR,"Dump grid compute {} data {} is not per-grid vector",
idcompute,dname);
if (argi.get_dim() > 0 && ncol == 0)
if (argi.get_dim() && ncol == 0)
error->all(FLERR,"Dump grid compute {} data {} is not per-grid array",
idcompute,dname);
if (argi.get_dim() > 0 && argi.get_index1() > ncol)
if (argi.get_dim() && argi.get_index1() > ncol)
error->all(FLERR,
"Dump grid compute {} array {} is accessed out-of-range",
idcompute,dname);
@ -798,7 +798,9 @@ int DumpGrid::parse_fields(int narg, char **arg)
if (ifix->pergrid_flag == 0)
error->all(FLERR,"Dump grid fix {} does not compute per-grid info",
idfix);
if (update->ntimestep % ifix->pergrid_freq)
error->all(FLERR,"Fix for dump grid not computed at compatible time");
int dim;
int igrid = ifix->get_grid_by_name(gname,dim);
if (igrid < 0)
@ -961,7 +963,7 @@ int DumpGrid::modify_param(int narg, char **arg)
double DumpGrid::memory_usage()
{
double bytes = Dump::memory_usage();
//NOTE: restre if use choose
//NOTE: restore if use choose
//bytes += memory->usage(choose,maxlocal);
//bytes += memory->usage(dchoose,maxlocal);
//bytes += memory->usage(clist,maxlocal);