(de9dfe44) · Commits · 郑智淋 / lammps

src/thermo.cpp

+4 −2

Original line number	Diff line number	Diff line
		@@ -941,18 +941,19 @@ int Thermo::evaluate_keyword(char word, double answer)

		if (strcmp(word,"step") == 0) {
		compute_step();
		dvalue = bivalue;

		} else if (strcmp(word,"elapsed") == 0) {
		if (update->whichflag == 0)
		error->all("This variable thermo keyword cannot be used between runs");
		compute_elapsed();
		dvalue = ivalue;
		dvalue = bivalue;

		} else if (strcmp(word,"elaplong") == 0) {
		if (update->whichflag == 0)
		error->all("This variable thermo keyword cannot be used between runs");
		compute_elapsed_long();
		dvalue = ivalue;
		dvalue = bivalue;

		} else if (strcmp(word,"dt") == 0) {
		compute_dt();
		@@ -974,6 +975,7 @@ int Thermo::evaluate_keyword(char word, double answer)

		} else if (strcmp(word,"atoms") == 0) {
		compute_atoms();
		dvalue = bivalue;

		} else if (strcmp(word,"temp") == 0) {
		if (!temperature)