Merge pull request #878 from jrgissing/group_extract (74fbb84b) · Commits · 郑智淋 / lammps

src/fix_group.cpp

+10 −0

Original line number	Diff line number	Diff line
		@@ -251,3 +251,13 @@ void FixGroup::set_group()

		if (varflag) memory->destroy(var);
		}

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

		void FixGroup::extract(const char str, int &unused)
		{
		if (strcmp(str,"property") == 0 && propflag) return (void *) idprop;
		if (strcmp(str,"variable") == 0 && varflag) return (void *) idvar;
		if (strcmp(str,"region") == 0 && regionflag) return (void *) idregion;
		return NULL;
		}

+2 −5

Original line number	Diff line number	Diff line
		@@ -33,6 +33,7 @@ class FixGroup : public Fix {
		void setup(int);
		void post_integrate();
		void post_integrate_respa(int,int);
		void extract(const char ,int &);

		private:
		int gbit,gbitinverse;
		@@ -69,7 +70,7 @@ Self-explanatory.

		E: Per atom property for group dynamic does not exist

		UNDOCUMENTED
		Self-explanatory.

		E: Group dynamic parent group cannot be dynamic

		@@ -79,10 +80,6 @@ E: Variable for group dynamic is invalid style

		The variable must be an atom-style variable.

		E: Per-atom property for group dynamic does not exist

		UNDOCUMENTED

		W: One or more dynamic groups may not be updated at correct point in timestep

		If there are other fixes that act immediately after the initial stage