(0b465472) · Commits · 郑智淋 / lammps

src/fix_ave_spatial.cpp

+5 −16

Original line number	Diff line number	Diff line
		@@ -34,7 +34,7 @@
		using namespace LAMMPS_NS;

		enum{LOWER,CENTER,UPPER,COORD};
		enum{X,V,F,DENSITY_NUMBER,DENSITY_MASS,COMPUTE,FIX,VARIABLE};
		enum{V,F,DENSITY_NUMBER,DENSITY_MASS,COMPUTE,FIX,VARIABLE};
		enum{SAMPLE,ALL};
		enum{BOX,LATTICE,REDUCED};
		enum{ONE,RUNNING,WINDOW};
		@@ -102,17 +102,7 @@ FixAveSpatial::FixAveSpatial(LAMMPS lmp, int narg, char *arg) :
		while (iarg < narg) {
		ids[nvalues] = NULL;

		if (strcmp(arg[iarg],"x") == 0) {
		which[nvalues] = X;
		argindex[nvalues++] = 0;
		} else if (strcmp(arg[iarg],"y") == 0) {
		which[nvalues] = X;
		argindex[nvalues++] = 1;
		} else if (strcmp(arg[iarg],"z") == 0) {
		which[nvalues] = X;
		argindex[nvalues++] = 2;

		} else if (strcmp(arg[iarg],"vx") == 0) {
		if (strcmp(arg[iarg],"vx") == 0) {
		which[nvalues] = V;
		argindex[nvalues++] = 0;
		} else if (strcmp(arg[iarg],"vy") == 0) {
		@@ -554,12 +544,11 @@ void FixAveSpatial::end_of_step()
		n = value2index[m];
		j = argindex[m];

		// X,V,F adds coords,velocities,forces to values
		// V,F adds velocities,forces to values

		if (which[m] == X \|\| which[m] == V \|\| which[m] == F) {
		if (which[m] == V \|\| which[m] == F) {
		double **attribute;
		if (which[m] == X) attribute = x;
		else if (which[m] == V) attribute = atom->v;
		if (which[m] == V) attribute = atom->v;
		else attribute = atom->f;

		if (regionflag == 0) {