Adjust write_echo() within kim_query (c03e9c97) · Commits · 郑智淋 / lammps

src/KIM/kim_query.cpp

+21 −2

Original line number	Diff line number	Diff line
		@@ -139,6 +139,7 @@ void KimQuery::command(int narg, char **arg)
		error->all(FLERR,errmsg);
		}

		kim_query_log_delimiter("begin");
		char *varcmd = new char[3];
		if (split) {
		int counter = 1;
		@@ -165,6 +166,7 @@ void KimQuery::command(int narg, char **arg)

		echo_var_assign(varname, value);
		}
		kim_query_log_delimiter("end");

		delete[] varcmd;
		delete[] value;
		@@ -300,14 +302,31 @@ char do_query(char qfunction, char * model_name, int narg, char **arg,
		}
		#endif

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

		void KimQuery::kim_query_log_delimiter(std::string const begin_end) const
		{
		if (comm->me == 0) {
		std::string mesg;
		if (begin_end == "begin")
		mesg =
		"#=== BEGIN kim-query =========================================\n";
		else if (begin_end == "end")
		mesg =
		"#=== END kim-query ===========================================\n\n";

		input->write_echo(mesg.c_str());
		}
		}

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

		void KimQuery::echo_var_assign(std::string const & name,
		std::string const & value) const
		{
		if (comm->me == 0) {
		std::string mesg;
		mesg = "#=== BEGIN kim_query =========================================\n";
		mesg += "variable " + name + " string " + value + "\n";
		mesg += "#=== END kim_query ===========================================\n";
		input->write_echo(mesg.c_str());
		}
		}

+1 −0

Original line number	Diff line number	Diff line
		@@ -73,6 +73,7 @@ class KimQuery : protected Pointers {
		KimQuery(class LAMMPS *lmp) : Pointers(lmp) {};
		void command(int, char **);
		private:
		void kim_query_log_delimiter(std::string const begin_end) const;
		void echo_var_assign(std::string const & name, std::string const & value)
		const;
		};