(82458347) · Commits · 郑智淋 / lammps

tools/restart2data.cpp

+5 −2

Original line number	Diff line number	Diff line
		@@ -700,7 +700,7 @@ int atom(double *buf, Data &data)
		if (data.style_molecular) allocate_molecular(data);
		}

		// read atom quatities from buf
		// read atom quantities from buf
		// if hybrid, loop over all sub-styles in order listed
		// if hybrid, loop index k will match style setting to insure correct order

		@@ -1912,7 +1912,10 @@ void pair(FILE fp, Data &data, char style, int flag)
		data.pair_cg_epsilon[i][j] = read_double(fp);
		data.pair_cg_sigma[i][j] = read_double(fp);
		data.pair_cut_lj[i][j] = read_double(fp);
		if (m) data.pair_cut_coul[i][j] = read_double(fp);
		if (m) {
		data.pair_cut_lj[i][j] = read_double(fp);
		data.pair_cut_coul[i][j] = read_double(fp);
		}
		}
		}
		}