no need to use a deprecated argument in a newly added API (a1cf6c08) · Commits · 郑智淋 / lammps

fortran/lammps.f90

+2 −3

Original line number	Diff line number	Diff line
		@@ -54,12 +54,11 @@ MODULE LIBLAMMPS

		! interface definitions for calling functions in library.cpp
		INTERFACE
		FUNCTION lammps_open(argc,argv,comm,handle) &
		FUNCTION lammps_open(argc,argv,comm) &
		BIND(C, name='lammps_open_fortran')
		IMPORT :: c_ptr, c_int
		INTEGER(c_int), VALUE, INTENT(in) :: argc, comm
		TYPE(c_ptr), DIMENSION(*), INTENT(in) :: argv
		TYPE(c_ptr), INTENT(out) :: handle
		TYPE(c_ptr) :: lammps_open
		END FUNCTION lammps_open

		@@ -161,7 +160,7 @@ CONTAINS
		ENDIF

		IF (PRESENT(comm)) THEN
		lmp_open%handle = lammps_open(argc,argv,comm,dummy)
		lmp_open%handle = lammps_open(argc,argv,comm)
		ELSE
		lmp_open%handle = lammps_open_no_mpi(argc,argv,dummy)
		END IF

+4 −4

Original line number	Diff line number	Diff line
		@@ -205,20 +205,20 @@ module. Internally it converts the f_comm argument into a C-style MPI
		communicator with ``MPI_Comm_f2c()`` and then calls
		:cpp:func:`lammps_open`.

		.. versionadded:: 15Sep2020

		\endverbatim
		*
		* \param argc number of command line arguments
		* \param argv list of command line argument strings
		* \param f_comm Fortran style MPI communicator for this LAMMPS instance
		* \param ptr pointer to a void pointer variable
		* which serves as a handle; may be ``NULL``
		* \return pointer to new LAMMPS instance cast to ``void `` /

		void lammps_open_fortran(int argc, char argv, int f_comm, void *ptr)
		void lammps_open_fortran(int argc, char *argv, int f_comm)
		{
		lammps_mpi_init();
		MPI_Comm c_comm = MPI_Comm_f2c((MPI_Fint)f_comm);
		return lammps_open(argc, argv, c_comm, ptr);
		return lammps_open(argc, argv, c_comm, nullptr);
		}

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

+1 −1

Original line number	Diff line number	Diff line
		@@ -77,7 +77,7 @@ extern "C" {
		void lammps_open(int argc, char argv, MPI_Comm comm, void *ptr);
		#endif
		void lammps_open_no_mpi(int argc, char argv, void *ptr);
		void lammps_open_fortran(int argc, char argv, int f_comm, void *ptr);
		void lammps_open_fortran(int argc, char *argv, int f_comm);
		void lammps_close(void *handle);
		void lammps_mpi_init();
		void lammps_mpi_finalize();