pair style deprecated now functional and compatible with hybrid pair styles (a1a9f34c) · Commits · 郑智淋 / lammps

src/pair_deprecated.cpp

+30 −22

Original line number	Diff line number	Diff line
		@@ -23,31 +23,39 @@

		using namespace LAMMPS_NS;

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

		PairDeprecated::PairDeprecated(LAMMPS *lmp) : Pair(lmp)
		static void writemsg(LAMMPS lmp, const char msg, int abend=1)
		{
		if (strcmp(force->pair_style,"deprecated") == 0) {
		const char *message = "\n"
		"NOTE: The pair style 'deprecated' is a dummy fix style that was added to\n"
		"LAMMPS in order to print suitable error messages for deleted features.\n\n";

		if (comm->me == 0) {
		if (screen) fputs(message,screen);
		if (logfile) fputs(message,logfile);
		if (lmp->comm->me == 0) {
		if (lmp->screen) fputs(msg,lmp->screen);
		if (lmp->logfile) fputs(msg,lmp->logfile);
		}
		if (abend)
		lmp->error->all(FLERR,"This pair_style is no longer available");
		}
		if (strncmp(force->pair_style,"reax",11) == 0) {
		const char *message = "\n"
		"NOTE: The pair style 'reax' has been removed from LAMMPS after the\n"
		"## November 2018 stable release. Its functionality has long before\n"
		"been superseded by pair styles 'reax/c' and 'reax/c/kk'\n\n";

		if (comm->me == 0) {
		if (screen) fputs(message,screen);
		if (logfile) fputs(message,logfile);


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

		void PairDeprecated::settings(int, char **)
		{
		const char *my_style = force->pair_style;

		// hybrid substyles are created in PairHybrid::settings(), so when this is
		// called, our style was just added at the end of the list of substyles
		if (strncmp(my_style,"hybrid",6) == 0) {
		PairHybrid hybrid = (PairHybrid )force->pair;
		my_style = hybrid->keywords[hybrid->nstyles];
		}

		if (strcmp(my_style,"deprecated") == 0) {
		writemsg(lmp,"\nPair style 'deprecated' is a dummy pair style\n\n",0);

		} else if (strcmp(my_style,"reax") == 0) {
		writemsg(lmp, "\nPair style 'reax' has been removed from LAMMPS "
		"after the\n## November 2018 stable release. Its "
		"functionality has long before\nbeen superseded by pair "
		"styles 'reax/c' and 'reax/c/kk'\n\n");
		}
		error->all(FLERR,"This pair_style command has been removed from LAMMPS");
		}

src/pair_deprecated.h

+5 −5

Original line number	Diff line number	Diff line
		@@ -26,12 +26,12 @@ namespace LAMMPS_NS {

		class PairDeprecated : public Pair {
		public:
		PairDeprecated(class LAMMPS *);
		virtual ~PairDeprecated() {};
		PairDeprecated(class LAMMPS *lmp) : Pair(lmp) {}
		virtual ~PairDeprecated() {}

		virtual void compute(int, int) {};
		virtual void settings(int, char **) {};
		virtual void coeff(int, char **) {};
		virtual void compute(int, int) {}
		virtual void settings(int, char **);
		virtual void coeff(int, char **) {}

		};

src/pair_hybrid.h

+1 −0

Original line number	Diff line number	Diff line
		@@ -32,6 +32,7 @@ class PairHybrid : public Pair {
		friend class Force;
		friend class Respa;
		friend class Info;
		friend class PairDeprecated;
		public:
		PairHybrid(class LAMMPS *);
		virtual ~PairHybrid();

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