(62756105) · Commits · 郑智淋 / lammps

src/GRANULAR/pair_gran_hertz_history.cpp

+4 −16

Original line number	Diff line number	Diff line
		@@ -87,7 +87,6 @@ void PairGranHertzHistory::compute(int eflag, int vflag)
		double **torque = atom->torque;
		double *radius = atom->radius;
		double *rmass = atom->rmass;
		double *mass = atom->mass;
		int *type = atom->type;
		int *mask = atom->mask;
		int nlocal = atom->nlocal;
		@@ -167,13 +166,8 @@ void PairGranHertzHistory::compute(int eflag, int vflag)
		// if I or J part of rigid body, use body mass
		// if I or J is frozen, meff is other particle

		if (rmass) {
		mi = rmass[i];
		mj = rmass[j];
		} else {
		mi = mass[type[i]];
		mj = mass[type[j]];
		}
		if (fix_rigid) {
		if (mass_rigid[i] > 0.0) mi = mass_rigid[i];
		if (mass_rigid[j] > 0.0) mj = mass_rigid[j];
		@@ -373,17 +367,11 @@ double PairGranHertzHistory::single(int i, int j, int itype, int jtype,
		// if I or J is frozen, meff is other particle

		double *rmass = atom->rmass;
		double *mass = atom->mass;
		int *type = atom->type;
		int *mask = atom->mask;

		if (rmass) {
		mi = rmass[i];
		mj = rmass[j];
		} else {
		mi = mass[type[i]];
		mj = mass[type[j]];
		}
		if (fix_rigid) {
		// NOTE: insure mass_rigid is current for owned+ghost atoms?
		if (mass_rigid[i] > 0.0) mi = mass_rigid[i];

src/GRANULAR/pair_gran_hooke.cpp

+4 −17

Original line number	Diff line number	Diff line
		@@ -81,7 +81,6 @@ void PairGranHooke::compute(int eflag, int vflag)
		double **torque = atom->torque;
		double *radius = atom->radius;
		double *rmass = atom->rmass;
		double *mass = atom->mass;
		int *type = atom->type;
		int *mask = atom->mask;
		int nlocal = atom->nlocal;
		@@ -148,13 +147,8 @@ void PairGranHooke::compute(int eflag, int vflag)
		// if I or J part of rigid body, use body mass
		// if I or J is frozen, meff is other particle

		if (rmass) {
		mi = rmass[i];
		mj = rmass[j];
		} else {
		mi = mass[type[i]];
		mj = mass[type[j]];
		}
		if (fix_rigid) {
		if (mass_rigid[i] > 0.0) mi = mass_rigid[i];
		if (mass_rigid[j] > 0.0) mj = mass_rigid[j];
		@@ -291,18 +285,11 @@ double PairGranHooke::single(int i, int j, int itype, int jtype, double rsq,
		// if I or J is frozen, meff is other particle

		double *rmass = atom->rmass;
		double *mass = atom->mass;
		int *type = atom->type;
		int *mask = atom->mask;

		if (rmass) {
		mi = rmass[i];
		mj = rmass[j];
		} else {
		mi = mass[type[i]];
		mj = mass[type[j]];
		}

		if (fix_rigid) {
		// NOTE: insure mass_rigid is current for owned+ghost atoms?
		if (mass_rigid[i] > 0.0) mi = mass_rigid[i];

src/GRANULAR/pair_gran_hooke_history.cpp

+14 −18

Original line number	Diff line number	Diff line
		@@ -129,7 +129,6 @@ void PairGranHookeHistory::compute(int eflag, int vflag)
		double **torque = atom->torque;
		double *radius = atom->radius;
		double *rmass = atom->rmass;
		double *mass = atom->mass;
		int *type = atom->type;
		int *mask = atom->mask;
		int nlocal = atom->nlocal;
		@@ -209,13 +208,8 @@ void PairGranHookeHistory::compute(int eflag, int vflag)
		// if I or J part of rigid body, use body mass
		// if I or J is frozen, meff is other particle

		if (rmass) {
		mi = rmass[i];
		mj = rmass[j];
		} else {
		mi = mass[type[i]];
		mj = mass[type[j]];
		}
		if (fix_rigid) {
		if (mass_rigid[i] > 0.0) mi = mass_rigid[i];
		if (mass_rigid[j] > 0.0) mj = mass_rigid[j];
		@@ -399,8 +393,8 @@ void PairGranHookeHistory::init_style()

		// error and warning checks

		if (!atom->sphere_flag)
		error->all(FLERR,"Pair granular requires atom style sphere");
		if (!atom->radius_flag \|\| !atom->rmass_flag)
		error->all(FLERR,"Pair granular requires atom atrributes radius, rmass");
		if (comm->ghost_velocity == 0)
		error->all(FLERR,"Pair granular requires ghost atoms store velocity");

		@@ -497,6 +491,14 @@ void PairGranHookeHistory::init_style()
		MPI_DOUBLE,MPI_MAX,world);
		MPI_Allreduce(&onerad_frozen[1],&maxrad_frozen[1],atom->ntypes,
		MPI_DOUBLE,MPI_MAX,world);

		// set fix which stores history info

		if (history) {
		int ifix = modify->find_fix("SHEAR_HISTORY");
		if (ifix < 0) error->all(FLERR,"Could not find pair fix ID");
		fix_history = (FixShearHistory *) modify->fix[ifix];
		}
		}

		/* ----------------------------------------------------------------------
		@@ -668,17 +670,11 @@ double PairGranHookeHistory::single(int i, int j, int itype, int jtype,
		// if I or J is frozen, meff is other particle

		double *rmass = atom->rmass;
		double *mass = atom->mass;
		int *type = atom->type;
		int *mask = atom->mask;

		if (rmass) {
		mi = rmass[i];
		mj = rmass[j];
		} else {
		mi = mass[type[i]];
		mj = mass[type[j]];
		}
		if (fix_rigid) {
		// NOTE: insure mass_rigid is current for owned+ghost atoms?
		if (mass_rigid[i] > 0.0) mi = mass_rigid[i];

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