Clean up comments (ad8fd4a2) · Commits · 郑智淋 / lammps

src/USER-HMA/compute_hma.cpp

+3 −3

Original line number	Diff line number	Diff line
		@@ -119,6 +119,7 @@ ComputeHMA::ComputeHMA(LAMMPS lmp, int narg, char *arg) :
		extvec.push_back(1);
		}
		else if (!strcasecmp(arg[iarg], "anharmonic")) {
		// the first time we're called, we'll grab lattice pressure and energy
		returnAnharmonic = -1;
		}
		else {
		@@ -333,9 +334,7 @@ void ComputeHMA::compute_vector()
		}
		}

		//adding PE for this processor

		//adding the energies of all processors
		// compute and sum up properties across processors

		double fdrTotal;
		MPI_Allreduce(&fdr,&fdrTotal,1,MPI_DOUBLE,MPI_SUM,world);
		@@ -383,6 +382,7 @@ void ComputeHMA::compute_vector()
		}
		}
		if (returnAnharmonic == -1) {
		// we have our lattice properties
		returnAnharmonic = 1;
		}
		}