(6e94c365) · Commits · 郑智淋 / lammps

tools/restart2data.cpp

+7 −1

Original line number	Diff line number	Diff line
		@@ -807,8 +807,11 @@ void pair(FILE fp, Data &data, char style, int flag)
		}

		} else if (strcmp(style,"eam") == 0) {
		} else if (strcmp(style,"eam/opt") == 0) {
		} else if (strcmp(style,"eam/alloy") == 0) {
		} else if (strcmp(style,"eam/alloy/opt") == 0) {
		} else if (strcmp(style,"eam/fs") == 0) {
		} else if (strcmp(style,"eam/fs/opt") == 0) {

		} else if ((strcmp(style,"gran/history") == 0) \|\|
		(strcmp(style,"gran/no_history") == 0) \|\|
		@@ -821,6 +824,7 @@ 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/opt") == 0) \|\|
		(strcmp(style,"lj/charmm/coul/long") == 0)) {

		if (strcmp(style,"lj/charmm/coul/charmm") == 0) {
		@@ -925,6 +929,7 @@ void pair(FILE fp, Data &data, char style, int flag)
		}

		} else if ((strcmp(style,"lj/cut") == 0) \|\|
		(strcmp(style,"lj/cut/opt") == 0) \|\|
		(strcmp(style,"lj/cut/coul/cut") == 0) \|\|
		(strcmp(style,"lj/cut/coul/debye") == 0) \|\|
		(strcmp(style,"lj/cut/coul/long") == 0) \|\|
		@@ -1025,7 +1030,8 @@ void pair(FILE fp, Data &data, char style, int flag)
		}
		}

		} else if (strcmp(style,"morse") == 0) {
		} else if ((strcmp(style,"morse") == 0) \|\|
		(strcmp(style,"morse/opt") == 0)) {

		double cut_global = read_double(fp);
		int offset_flag = read_int(fp);