reduce warnings due to signed/unsiged comparisons (8bed429a) · Commits · 郑智淋 / lammps

src/USER-MISC/fix_ave_correlate_long.cpp

+13 −13

Original line number	Diff line number	Diff line
		@@ -307,7 +307,7 @@ FixAveCorrelateLong::FixAveCorrelateLong(LAMMPS * lmp, int narg, char **arg):

		for (int i=0;i<npair;i++)
		for (int j=0;j<numcorrelators;j++) {
		for (int k=0;k<p;k++) {
		for (unsigned int k=0;k<p;k++) {
		shift[i][j][k]=-2E10;
		shift2[i][j][k]=0.0;
		correlation[i][j][k]=0.0;
		@@ -317,7 +317,7 @@ FixAveCorrelateLong::FixAveCorrelateLong(LAMMPS * lmp, int narg, char **arg):
		}

		for (int i=0;i<numcorrelators;i++) {
		for (int j=0;j<p;j++) ncorrelation[i][j]=0;
		for (unsigned int j=0;j<p;j++) ncorrelation[i][j]=0;
		naccumulator[i]=0;
		insertindex[i]=0;
		}
		@@ -515,7 +515,7 @@ void FixAveCorrelateLong::evaluate() {
		unsigned int jm=0;

		// First correlator
		for (int j=0;j<p;++j) {
		for (unsigned int j=0;j<p;++j) {
		if (ncorrelation[0][j] > 0) {
		t[jm] = j;
		for (int i=0;i<npair;++i)
		@@ -526,7 +526,7 @@ void FixAveCorrelateLong::evaluate() {

		// Subsequent correlators
		for (int k=1;k<kmax;++k) {
		for (int j=dmin;j<p;++j) {
		for (unsigned int j=dmin;j<p;++j) {
		if (ncorrelation[k][j]>0) {
		t[jm] = j * pow((double)m, k);
		for (int i=0;i<npair;++i)
		@@ -610,7 +610,7 @@ void FixAveCorrelateLong::add(const int i, const double w, const int k){
		unsigned int ind1=insertindex[k];
		if (k==0) { // First correlator is different
		int ind2=ind1;
		for (int j=0;j<p;++j) {
		for (unsigned int j=0;j<p;++j) {
		if (shift[i][k][ind2] > -1e10) {
		correlation[i][k][j]+= shift[i][k][ind1]*shift[i][k][ind2];
		if (i==0) ++ncorrelation[k][j];
		@@ -620,7 +620,7 @@ void FixAveCorrelateLong::add(const int i, const double w, const int k){
		}
		} else {
		int ind2=ind1-dmin;
		for (int j=dmin;j<p;++j) {
		for (unsigned int j=dmin;j<p;++j) {
		if (ind2<0) ind2+=p;
		if (shift[i][k][ind2] > -1e10) {
		correlation[i][k][j]+= shift[i][k][ind1]*shift[i][k][ind2];
		@@ -661,7 +661,7 @@ void FixAveCorrelateLong::add(const int i, const double wA, const double wB,
		unsigned int ind1=insertindex[k];
		if (k==0) {
		int ind2=ind1;
		for (int j=0;j<p;++j) {
		for (unsigned int j=0;j<p;++j) {
		if (shift[i][k][ind2] > -1e10) {
		correlation[i][k][j]+= shift[i][k][ind1]*shift2[i][k][ind2];
		if (i==0) ++ncorrelation[k][j];
		@@ -672,7 +672,7 @@ void FixAveCorrelateLong::add(const int i, const double wA, const double wB,
		}
		else {
		int ind2=ind1-dmin;
		for (int j=dmin;j<p;++j) {
		for (unsigned int j=dmin;j<p;++j) {
		if (ind2<0) ind2+=p;
		if (shift[i][k][ind2] > -1e10) {
		correlation[i][k][j]+= shift[i][k][ind1]*shift2[i][k][ind2];
		@@ -743,7 +743,7 @@ void FixAveCorrelateLong::write_restart(FILE *fp) {
		list[n++] = last_accumulated_step;
		for (int i=0;i<npair;i++)
		for (int j=0;j<numcorrelators;j++) {
		for (int k=0;k<p;k++) {
		for (unsigned int k=0;k<p;k++) {
		list[n++]=shift[i][j][k];
		list[n++]=shift2[i][j][k];
		list[n++]=correlation[i][j][k];
		@@ -752,7 +752,7 @@ void FixAveCorrelateLong::write_restart(FILE *fp) {
		list[n++]=accumulator2[i][j];
		}
		for (int i=0;i<numcorrelators;i++) {
		for (int j=0;j<p;j++) list[n++]=ncorrelation[i][j];
		for (unsigned int j=0;j<p;j++) list[n++]=ncorrelation[i][j];
		list[n++]=naccumulator[i];
		list[n++]=insertindex[i];
		}
		@@ -779,12 +779,12 @@ void FixAveCorrelateLong::restart(char *buf)
		last_accumulated_step = static_cast<int> (list[n++]);

		if ((npairin!=npair) \|\| (numcorrelatorsin!=numcorrelators)
		\|\| (pin!=p) \|\| (min!=m))
		\|\| (pin!=(int)p) \|\| (min!=(int)m))
		error->all(FLERR,"Fix ave/correlate/long: restart and input data are different");

		for (int i=0;i<npair;i++)
		for (int j=0;j<numcorrelators;j++) {
		for (int k=0;k<p;k++) {
		for (unsigned int k=0;k<p;k++) {
		shift[i][j][k] = list[n++];
		shift2[i][j][k] = list[n++];
		correlation[i][j][k] = list[n++];
		@@ -793,7 +793,7 @@ void FixAveCorrelateLong::restart(char *buf)
		accumulator2[i][j] = list[n++];
		}
		for (int i=0;i<numcorrelators;i++) {
		for (int j=0;j<p;j++)
		for (unsigned int j=0;j<p;j++)
		ncorrelation[i][j] = static_cast<unsigned long int>(list[n++]);
		naccumulator[i] = static_cast<unsigned int> (list[n++]);
		insertindex[i] = static_cast<unsigned int> (list[n++]);

src/USER-MISC/fix_ave_correlate_long.h

+1 −1

Original line number	Diff line number	Diff line
		@@ -52,7 +52,7 @@ class FixAveCorrelateLong : public Fix {
		unsigned int *insertindex;

		int numcorrelators; // Recommended 20
		int p; // Points per correlator (recommended 16)
		unsigned int p; // Points per correlator (recommended 16)
		unsigned int m; // Num points for average (recommended 2; p mod m = 0)
		unsigned int dmin; // Min distance between ponts for correlators k>0; dmin=p/m

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