(11e80405) · Commits · 郑智淋 / lammps

tools/restart2data.cpp

+2 −0

Original line number	Diff line number	Diff line
		@@ -1647,6 +1647,7 @@ void pair(FILE fp, Data &data, char style, int flag)
		} else if ((strcmp(style,"lj/charmm/coul/charmm") == 0) \|\|
		(strcmp(style,"lj/charmm/coul/charmm/implicit") == 0) \|\|
		(strcmp(style,"lj/charmm/coul/long") == 0) \|\|
		(strcmp(style,"lj/charmm/coul/long/gpu") == 0) \|\|
		(strcmp(style,"lj/charmm/coul/long/opt") == 0)) {

		if (strcmp(style,"lj/charmm/coul/charmm") == 0) {
		@@ -1664,6 +1665,7 @@ void pair(FILE fp, Data &data, char style, int flag)
		int offset_flag = read_int(fp);
		int mix_flag = read_int(fp);
		} else if ((strcmp(style,"lj/charmm/coul/long") == 0) \|\|
		(strcmp(style,"lj/charmm/coul/long/gpu") == 0) \|\|
		(strcmp(style,"lj/charmm/coul/long/opt") == 0)) {
		double cut_lj_inner = read_double(fp);
		double cut_lj = read_double(fp);