(b9f2d23f) · Commits · 郑智淋 / lammps

src/compute_rotate_gran.cpp

+3 −3

Original line number	Diff line number	Diff line
		@@ -49,7 +49,7 @@ void ComputeRotateGran::init()

		double ComputeRotateGran::compute_scalar()
		{
		double **phiv = atom->phiv;
		double **omega = atom->omega;
		double *radius = atom->radius;
		double *rmass = atom->rmass;
		int *mask = atom->mask;
		@@ -59,8 +59,8 @@ double ComputeRotateGran::compute_scalar()

		for (int i = 0; i < nlocal; i++)
		if (mask[i] & groupbit)
		erot += (phiv[i][0]phiv[i][0] + phiv[i][1]phiv[i][1] +
		phiv[i][2]phiv[i][2]) radius[i]radius[i]rmass[i];
		erot += (omega[i][0]omega[i][0] + omega[i][1]omega[i][1] +
		omega[i][2]omega[i][2]) radius[i]radius[i]rmass[i];

		MPI_Allreduce(&erot,&scalar,1,MPI_DOUBLE,MPI_SUM,world);
		scalar *= pfactor;