Clear wall/gran contacts before each calculation (f5ea01e9) · Commits · 郑智淋 / lammps

src/GRANULAR/fix_wall_gran.cpp

+14 −4

Original line number	Diff line number	Diff line
		@@ -426,10 +426,7 @@ FixWallGran::FixWallGran(LAMMPS lmp, int narg, char *arg) :
		}

		if (peratom_flag) {
		int nlocal = atom->nlocal;
		for (int i = 0; i < nlocal; i++)
		for (int m = 0; m < size_peratom_cols; m++)
		array_atom[i][m] = 0.0;
		clear_stored_contacts();
		}

		time_origin = update->ntimestep;
		@@ -596,6 +593,10 @@ void FixWallGran::post_force(int /vflag/)

		rwall = 0.0;

		if (peratom_flag) {
		clear_stored_contacts();
		}

		for (int i = 0; i < nlocal; i++) {
		if (mask[i] & groupbit) {

		@@ -702,6 +703,15 @@ void FixWallGran::post_force(int /vflag/)
		}
		}

		void FixWallGran::clear_stored_contacts() {
		const int nlocal = atom->nlocal;
		for (int i = 0; i < nlocal; i++) {
		for (int m = 0; m < size_peratom_cols; m++) {
		array_atom[i][m] = 0.0;
		}
		}
		}

		/* ---------------------------------------------------------------------- */

		void FixWallGran::post_force_respa(int vflag, int ilevel, int /iloop/)

+2 −0

Original line number	Diff line number	Diff line
		@@ -110,6 +110,8 @@ class FixWallGran : public Fix {
		// store particle interactions

		int store;

		void clear_stored_contacts();
		};

		}

+4 −0

Original line number	Diff line number	Diff line
		@@ -178,6 +178,10 @@ void FixWallGranRegion::post_force(int /vflag/)
		region->set_velocity();
		}

		if (peratom_flag) {
		clear_stored_contacts();
		}

		for (i = 0; i < nlocal; i++) {
		if (mask[i] & groupbit) {
		if (!region->match(x[i][0],x[i][1],x[i][2])) continue;