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add proc option to compute property/grid

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This commit is contained in:
Steve Plimpton
2023-08-02 16:27:19 -06:00
parent 57b6543886
commit 3e7f1ac83a
2 changed files with 35 additions and 0 deletions
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34
src/compute_property_grid.cpp
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@ -13,6 +13,7 @@
#include "compute_property_grid.h"
#include "comm.h"
#include "domain.h"
#include "error.h"
#include "grid2d.h"
@ -59,6 +60,8 @@ ComputePropertyGrid::ComputePropertyGrid(LAMMPS *lmp, int narg, char **arg) :
if (strcmp(arg[iarg], "id") == 0) {
pack_choice[jarg] = &ComputePropertyGrid::pack_id;
} else if (strcmp(arg[iarg], "proc") == 0) {
pack_choice[jarg] = &ComputePropertyGrid::pack_proc;
} else if (strcmp(arg[iarg], "ix") == 0) {
pack_choice[jarg] = &ComputePropertyGrid::pack_indices<0>;
@ -321,6 +324,37 @@ void ComputePropertyGrid::pack_id(int n)
}
}
/* ----------------------------------------------------------------------
grid point owning processor
------------------------------------------------------------------------- */
void ComputePropertyGrid::pack_proc(int n)
{
int me = comm->me;
if (dimension == 2) {
if (nvalues == 1) {
for (int iy = nylo_in; iy <= nyhi_in; iy++)
for (int ix = nxlo_in; ix <= nxhi_in; ix++) vec2d[iy][ix] = me;
} else {
for (int iy = nylo_in; iy <= nyhi_in; iy++)
for (int ix = nxlo_in; ix <= nxhi_in; ix++) array2d[iy][ix][n] = me;
}
} else if (dimension == 3) {
if (nvalues == 1) {
for (int iz = nzlo_in; iz <= nzhi_in; iz++)
for (int iy = nylo_in; iy <= nyhi_in; iy++)
for (int ix = nxlo_in; ix <= nxhi_in; ix++)
vec3d[iz][iy][ix] = me;
} else {
for (int iz = nzlo_in; iz <= nzhi_in; iz++)
for (int iy = nylo_in; iy <= nyhi_in; iy++)
for (int ix = nxlo_in; ix <= nxhi_in; ix++)
array3d[iz][iy][ix][n] = me;
}
}
}
/* ----------------------------------------------------------------------
grid indices via templating
------------------------------------------------------------------------- */

1
src/compute_property_grid.h
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@ -65,6 +65,7 @@ class ComputePropertyGrid : public Compute {
FnPtrPack *pack_choice; // ptrs to pack functions
void pack_id(int);
void pack_proc(int);
template <int IDIM> void pack_indices(int);
template <int POS, int MODE, int IDIM> void pack_coords(int);
};