fix bug in writing data (a921c44a) · Commits · 郑智淋 / lammps

src/USER-MISC/pair_cosine_squared.cpp

+10 −4

Original line number	Diff line number	Diff line
		@@ -323,8 +323,11 @@ void PairCosineSquared::read_restart_settings(FILE *fp)
		void PairCosineSquared::write_data(FILE *fp)
		{
		for (int i = 1; i <= atom->ntypes; i++)
		fprintf(fp, "%d %g %g %g %d\n", i, epsilon[i][i], sigma[i][i],
		cut[i][i], wcaflag[i][i]);
		{
		fprintf(fp, "%d %g %g %g", i, epsilon[i][i], sigma[i][i], cut[i][i]);
		if (wcaflag[i][i]) fprintf(fp, " wca");
		fprintf(fp, "\n");
		}
		}

		/* ----------------------------------------------------------------------
		@@ -335,8 +338,11 @@ void PairCosineSquared::write_data_all(FILE *fp)
		{
		for (int i = 1; i <= atom->ntypes; i++)
		for (int j = i; j <= atom->ntypes; j++)
		fprintf(fp, "%d %d %g %g %g %d\n", i, j, epsilon[i][j], sigma[i][j],
		cut[i][j], wcaflag[i][j]);
		{
		fprintf(fp, "%d %d %g %g %g", i, j, epsilon[i][j], sigma[i][j], cut[i][j]);
		if (wcaflag[i][j]) fprintf(fp, " wca");
		fprintf(fp, "\n");
		}
		}

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