simplify fix generation for package commands (f8ad39e7) · Commits · 郑智淋 / lammps

src/input.cpp

+9 −21

Original line number	Diff line number	Diff line
		@@ -1728,13 +1728,9 @@ void Input::package()
		if (!modify->check_package("GPU"))
		error->all(FLERR,"Package gpu command without GPU package installed");

		char *fixarg = new char[2+narg];
		fixarg[0] = (char *) "package_gpu";
		fixarg[1] = (char *) "all";
		fixarg[2] = (char *) "GPU";
		for (int i = 1; i < narg; i++) fixarg[i+2] = arg[i];
		modify->add_fix(2+narg,fixarg);
		delete [] fixarg;
		std::string fixcmd = "package_gpu all GPU";
		for (int i = 1; i < narg; i++) fixcmd += std::string(" ") + arg[i];
		modify->add_fix(fixcmd);

		} else if (strcmp(arg[0],"kokkos") == 0) {
		if (lmp->kokkos == NULL \|\| lmp->kokkos->kokkos_exists == 0)
		@@ -1747,26 +1743,18 @@ void Input::package()
		error->all(FLERR,
		"Package omp command without USER-OMP package installed");

		char *fixarg = new char[2+narg];
		fixarg[0] = (char *) "package_omp";
		fixarg[1] = (char *) "all";
		fixarg[2] = (char *) "OMP";
		for (int i = 1; i < narg; i++) fixarg[i+2] = arg[i];
		modify->add_fix(2+narg,fixarg);
		delete [] fixarg;
		std::string fixcmd = "package_omp all OMP";
		for (int i = 1; i < narg; i++) fixcmd += std::string(" ") + arg[i];
		modify->add_fix(fixcmd);

		} else if (strcmp(arg[0],"intel") == 0) {
		if (!modify->check_package("INTEL"))
		error->all(FLERR,
		"Package intel command without USER-INTEL package installed");

		char *fixarg = new char[2+narg];
		fixarg[0] = (char *) "package_intel";
		fixarg[1] = (char *) "all";
		fixarg[2] = (char *) "INTEL";
		for (int i = 1; i < narg; i++) fixarg[i+2] = arg[i];
		modify->add_fix(2+narg,fixarg);
		delete [] fixarg;
		std::string fixcmd = "package_intel all INTEL";
		for (int i = 1; i < narg; i++) fixcmd += std::string(" ") + arg[i];
		modify->add_fix(fixcmd);

		} else error->all(FLERR,"Illegal package command");
		}

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