forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5443 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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7a2ad83876
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@ -30,7 +30,7 @@ using namespace LAMMPS_NS;
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enum{SUM,MINN,MAXX};
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enum{X,V,F,COMPUTE,FIX,VARIABLE};
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enum{GLOBAL,PERATOM,LOCAL};
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enum{PERATOM,LOCAL};
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#define INVOKED_VECTOR 2
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#define INVOKED_ARRAY 4
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@ -101,34 +101,8 @@ double ComputeReduceRegion::compute_one(int m, int flag)
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} else if (which[m] == COMPUTE) {
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Compute *compute = modify->compute[n];
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if (flavor[m] == GLOBAL) {
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if (j == 0) {
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if (!(compute->invoked_flag & INVOKED_VECTOR)) {
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compute->compute_vector();
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compute->invoked_flag |= INVOKED_VECTOR;
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}
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double *compute_vector = compute->vector;
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int n = compute->size_vector;
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if (flag < 0)
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for (i = 0; i < n; i++)
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combine(one,compute_vector[i],i);
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else one = compute_vector[flag];
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} else {
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if (!(compute->invoked_flag & INVOKED_ARRAY)) {
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compute->compute_array();
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compute->invoked_flag |= INVOKED_ARRAY;
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}
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double **compute_array = compute->array;
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int n = compute->size_array_rows;
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int jm1 = j - 1;
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if (flag < 0)
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for (i = 0; i < n; i++)
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combine(one,compute_array[i][jm1],i);
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else one = compute_array[flag][jm1];
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}
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} else if (flavor[m] == PERATOM) {
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if (flavor[m] == PERATOM) {
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if (!(compute->invoked_flag & INVOKED_PERATOM)) {
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compute->compute_peratom();
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compute->invoked_flag |= INVOKED_PERATOM;
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@ -184,23 +158,7 @@ double ComputeReduceRegion::compute_one(int m, int flag)
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error->all("Fix used in compute reduce not computed at compatible time");
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Fix *fix = modify->fix[n];
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if (flavor[m] == GLOBAL) {
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if (j == 0) {
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int n = fix->size_vector;
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if (flag < 0)
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for (i = 0; i < n; i++)
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combine(one,fix->compute_vector(i),i);
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else one = fix->compute_vector(flag);
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} else {
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int n = fix->size_array_rows;
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int jm1 = j - 1;
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if (flag < 0)
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for (i = 0; i < nlocal; i++)
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combine(one,fix->compute_array(i,jm1),i);
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else one = fix->compute_array(flag,jm1);
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}
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} else if (flavor[m] == PERATOM) {
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if (flavor[m] == PERATOM) {
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if (j == 0) {
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double *fix_vector = fix->vector_atom;
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int n = nlocal;
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@ -274,10 +232,7 @@ double ComputeReduceRegion::count(int m)
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return group->count(igroup,iregion);
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else if (which[m] == COMPUTE) {
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Compute *compute = modify->compute[n];
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if (flavor[m] == GLOBAL) {
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if (j == 0) return(1.0*compute->size_vector);
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else return(1.0*compute->size_array_rows);
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} else if (flavor[m] == PERATOM) {
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if (flavor[m] == PERATOM) {
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return group->count(igroup,iregion);
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} else if (flavor[m] == LOCAL) {
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double ncount = compute->size_local_rows;
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@ -287,10 +242,7 @@ double ComputeReduceRegion::count(int m)
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}
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} else if (which[m] == FIX) {
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Fix *fix = modify->fix[n];
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if (flavor[m] == GLOBAL) {
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if (j == 0) return(1.0*fix->size_vector);
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else return(1.0*fix->size_array_rows);
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} else if (flavor[m] == PERATOM) {
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if (flavor[m] == PERATOM) {
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return group->count(igroup,iregion);
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} else if (flavor[m] == LOCAL) {
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double ncount = fix->size_local_rows;
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