Merge pull request #943 from Pakketeretet2/improve-manifoldforce-warning (d55c7039) · Commits · 郑智淋 / lammps

src/USER-MANIFOLD/fix_manifoldforce.cpp

+14 −9

Original line number	Diff line number	Diff line
		@@ -31,12 +31,12 @@ using namespace user_manifold;


		// Helper functions for parameters/equal style variables in input script
		inline bool was_var( const char *arg )
		static bool was_var( const char *arg )
		{
		return strstr( arg, "v_" ) == arg;
		}

		inline bool str_eq( const char str1, const char str2 )
		static bool str_eq( const char str1, const char str2 )
		{
		return strcmp(str1,str2) == 0;
		}
		@@ -50,13 +50,6 @@ FixManifoldForce::FixManifoldForce(LAMMPS lmp, int narg, char *arg) :
		MPI_Comm_rank(world,&me);


		// Check the min-style:
		int good_minner = str_eq(update->minimize_style,"hftn") \|
		str_eq(update->minimize_style,"quickmin");
		if( !good_minner){
		error->warning(FLERR,"Minimizing with fix manifoldforce without hftn or quickmin is fishy");
		}


		// Command is given as
		// fix <name> <group> manifoldforce manifold_name manifold_args
		@@ -121,6 +114,18 @@ int FixManifoldForce::setmask()

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

		void FixManifoldForce::init()
		{
		// Check the min-style:
		const bool is_good_min_style = str_eq(update->minimize_style,"hftn")
		\|\| str_eq(update->minimize_style,"quickmin");
		if (!is_good_min_style) {
		error->all(FLERR,"Fix manifoldforce requires min_style hftn or quickmin");
		}
		}

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

		void FixManifoldForce::setup(int vflag)
		{
		if (strstr(update->integrate_style,"verlet"))

+1 −0

Original line number	Diff line number	Diff line
		@@ -51,6 +51,7 @@ class FixManifoldForce : public Fix {
		public:
		FixManifoldForce(class LAMMPS , int, char *);
		int setmask();
		void init();
		void setup(int);
		void min_setup(int);
		void post_force(int);