(85795252) · Commits · 郑智淋 / lammps

src/compute_reduce_region.cpp

+5 −53

Original line number	Diff line number	Diff line
		@@ -30,7 +30,7 @@ using namespace LAMMPS_NS;

		enum{SUM,MINN,MAXX};
		enum{X,V,F,COMPUTE,FIX,VARIABLE};
		enum{GLOBAL,PERATOM,LOCAL};
		enum{PERATOM,LOCAL};

		#define INVOKED_VECTOR 2
		#define INVOKED_ARRAY 4
		@@ -102,33 +102,7 @@ double ComputeReduceRegion::compute_one(int m, int flag)
		} else if (which[m] == COMPUTE) {
		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)) {
		compute->compute_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");
		Fix *fix = modify->fix[n];

		if (flavor[m] == GLOBAL) {
		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 (flavor[m] == PERATOM) {
		if (j == 0) {
		double *fix_vector = fix->vector_atom;
		int n = nlocal;
		@@ -274,10 +232,7 @@ double ComputeReduceRegion::count(int m)
		return group->count(igroup,iregion);
		else if (which[m] == COMPUTE) {
		Compute *compute = modify->compute[n];
		if (flavor[m] == GLOBAL) {
		if (j == 0) return(1.0*compute->size_vector);
		else return(1.0*compute->size_array_rows);
		} else if (flavor[m] == PERATOM) {
		if (flavor[m] == PERATOM) {
		return group->count(igroup,iregion);
		} else if (flavor[m] == LOCAL) {
		double ncount = compute->size_local_rows;
		@@ -287,10 +242,7 @@ double ComputeReduceRegion::count(int m)
		}
		} else if (which[m] == FIX) {
		Fix *fix = modify->fix[n];
		if (flavor[m] == GLOBAL) {
		if (j == 0) return(1.0*fix->size_vector);
		else return(1.0*fix->size_array_rows);
		} else if (flavor[m] == PERATOM) {
		if (flavor[m] == PERATOM) {
		return group->count(igroup,iregion);
		} else if (flavor[m] == LOCAL) {
		double ncount = fix->size_local_rows;

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