cleanup and bugfix (b223ca14) · Commits · 郑智淋 / lammps

src/fix_temp_csld.cpp

+3 −5

Original line number	Diff line number	Diff line
		@@ -328,18 +328,16 @@ void FixTempCSLD::write_restart(FILE *fp)

		void FixTempCSLD::restart(char *buf)
		{
		int n = 0;
		double list = (double ) buf;

		energy = list[n++];
		int nprocs = (int) list[n++];
		energy = list[0];
		int nprocs = (int) list[1];
		if (nprocs != comm->nprocs) {
		if (comm->me == 0)
		error->warning(FLERR,"Different number of procs. Cannot restore RNG state.");
		} else random->set_state(list+n+comm->me*103);
		} else random->set_state(list+2+comm->me*103);
		}


		/* ----------------------------------------------------------------------
		extract thermostat properties
		------------------------------------------------------------------------- */

+2 −2

Original line number	Diff line number	Diff line
		@@ -126,6 +126,7 @@ FixTempCSVR::FixTempCSVR(LAMMPS lmp, int narg, char *arg) :

		// CSVR thermostat should be applied every step

		restart_global = 1;
		nevery = 1;
		scalar_flag = 1;
		global_freq = nevery;
		@@ -360,7 +361,6 @@ void FixTempCSVR::write_restart(FILE *fp)

		void FixTempCSVR::restart(char *buf)
		{
		int n = 0;
		double list = (double ) buf;

		energy = list[0];
		@@ -368,7 +368,7 @@ void FixTempCSVR::restart(char *buf)
		if (nprocs != comm->nprocs) {
		if (comm->me == 0)
		error->warning(FLERR,"Different number of procs. Cannot restore RNG state.");
		} else random->set_state(list+n+comm->me*103);
		} else random->set_state(list+2+comm->me*103);
		}

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