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@5443 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2011-01-03 20:20:21 +00:00
parent 7a2ad83876
commit 857952521e
1 changed files with 5 additions and 53 deletions
Download Patch File Download Diff File Expand all files Collapse all files

58
src/compute_reduce_region.cpp
View File

@ -30,7 +30,7 @@ using namespace LAMMPS_NS;
enum{SUM,MINN,MAXX}; enum{SUM,MINN,MAXX};
enum{X,V,F,COMPUTE,FIX,VARIABLE}; enum{X,V,F,COMPUTE,FIX,VARIABLE};
enum{GLOBAL,PERATOM,LOCAL}; enum{PERATOM,LOCAL};
#define INVOKED_VECTOR 2 #define INVOKED_VECTOR 2
#define INVOKED_ARRAY 4 #define INVOKED_ARRAY 4
@ -101,34 +101,8 @@ double ComputeReduceRegion::compute_one(int m, int flag)
} else if (which[m] == COMPUTE) { } else if (which[m] == COMPUTE) {
Compute *compute = modify->compute[n]; Compute *compute = modify->compute[n];
if (flavor[m] == GLOBAL) {
if (j == 0) {
if (!(compute->invoked_flag & INVOKED_VECTOR)) {
compute->compute_vector();
compute->invoked_flag |= INVOKED_VECTOR;
}
double *compute_vector = compute->vector;
int n = compute->size_vector;
if (flag < 0)
for (i = 0; i < n; i++)
combine(one,compute_vector[i],i);
else one = compute_vector[flag];
} else {
if (!(compute->invoked_flag & INVOKED_ARRAY)) {
compute->compute_array();
compute->invoked_flag |= INVOKED_ARRAY;
}
double **compute_array = compute->array;
int n = compute->size_array_rows;
int jm1 = j - 1;
if (flag < 0)
for (i = 0; i < n; i++)
combine(one,compute_array[i][jm1],i);
else one = compute_array[flag][jm1];
}
} else if (flavor[m] == PERATOM) { if (flavor[m] == PERATOM) {
if (!(compute->invoked_flag & INVOKED_PERATOM)) { if (!(compute->invoked_flag & INVOKED_PERATOM)) {
compute->compute_peratom(); compute->compute_peratom();
compute->invoked_flag |= INVOKED_PERATOM; compute->invoked_flag |= INVOKED_PERATOM;
@ -184,23 +158,7 @@ double ComputeReduceRegion::compute_one(int m, int flag)
error->all("Fix used in compute reduce not computed at compatible time"); error->all("Fix used in compute reduce not computed at compatible time");
Fix *fix = modify->fix[n]; Fix *fix = modify->fix[n];
if (flavor[m] == GLOBAL) { if (flavor[m] == PERATOM) {
if (j == 0) {
int n = fix->size_vector;
if (flag < 0)
for (i = 0; i < n; i++)
combine(one,fix->compute_vector(i),i);
else one = fix->compute_vector(flag);
} else {
int n = fix->size_array_rows;
int jm1 = j - 1;
if (flag < 0)
for (i = 0; i < nlocal; i++)
combine(one,fix->compute_array(i,jm1),i);
else one = fix->compute_array(flag,jm1);
}
} else if (flavor[m] == PERATOM) {
if (j == 0) { if (j == 0) {
double *fix_vector = fix->vector_atom; double *fix_vector = fix->vector_atom;
int n = nlocal; int n = nlocal;
@ -274,10 +232,7 @@ double ComputeReduceRegion::count(int m)
return group->count(igroup,iregion); return group->count(igroup,iregion);
else if (which[m] == COMPUTE) { else if (which[m] == COMPUTE) {
Compute *compute = modify->compute[n]; Compute *compute = modify->compute[n];
if (flavor[m] == GLOBAL) { if (flavor[m] == PERATOM) {
if (j == 0) return(1.0*compute->size_vector);
else return(1.0*compute->size_array_rows);
} else if (flavor[m] == PERATOM) {
return group->count(igroup,iregion); return group->count(igroup,iregion);
} else if (flavor[m] == LOCAL) { } else if (flavor[m] == LOCAL) {
double ncount = compute->size_local_rows; double ncount = compute->size_local_rows;
@ -287,10 +242,7 @@ double ComputeReduceRegion::count(int m)
} }
} else if (which[m] == FIX) { } else if (which[m] == FIX) {
Fix *fix = modify->fix[n]; Fix *fix = modify->fix[n];
if (flavor[m] == GLOBAL) { if (flavor[m] == PERATOM) {
if (j == 0) return(1.0*fix->size_vector);
else return(1.0*fix->size_array_rows);
} else if (flavor[m] == PERATOM) {
return group->count(igroup,iregion); return group->count(igroup,iregion);
} else if (flavor[m] == LOCAL) { } else if (flavor[m] == LOCAL) {
double ncount = fix->size_local_rows; double ncount = fix->size_local_rows;