Loading src/library.cpp +20 −11 Original line number Diff line number Diff line Loading @@ -108,20 +108,23 @@ thus is otherwise ignored. However ``argc`` may be set to 0 and then ``argv`` may be ``NULL``. If MPI is not yet initialized, ``MPI_Init()`` will be called during creation of the LAMMPS class instance. If for some reason the creation or initialization of the LAMMPS instance fails a null pointer is returned. .. versionchanged:: 15Sep2020 The function now returns a pointer to the created LAMMPS class. If for some reason the initialization of the LAMMPS instance fails, the function returns ``NULL``. For backward compatibility it is still possible to provide the address of a pointer variable as argument *ptr*\ . This argument may be ``NULL`` and is then ignored. This function now has the pointer to the created LAMMPS class instance as return value. For backward compatibility it is still possible to provide the address of a pointer variable as final argument *ptr*\ . This use is deprecated and may be removed in the future. The *ptr* argument may be ``NULL`` and is then ignored. .. note:: This function is not declared when the code linking to the LAMMPS library interface is compiled with ``-DLAMMPS_LIB_NO_MPI``, or contains a ``#define LAMMPS_LIB_NO_MPI 1`` statement before ``#include "library.h"``. In that case, you need to use the ``#include "library.h"``. In that case, you must use the :cpp:func:`lammps_open_no_mpi` function. \endverbatim Loading Loading @@ -171,13 +174,16 @@ library was compiled in serial mode, but the calling code runs in parallel and the ``MPI_Comm`` data type of the STUBS library would not be compatible with that of the calling code. If for some reason the creation or initialization of the LAMMPS instance fails a null pointer is returned. .. versionchanged:: 15Sep2020 The function now returns a pointer to the created LAMMPS class. If for some reason the initialization of the LAMMPS instance fails, the function returns ``NULL``. For backward compatibility it is still possible to provide the address of a pointer variable as argument *ptr*\ . This argument may be ``NULL`` and is then ignored. This function now has the pointer to the created LAMMPS class instance as return value. For backward compatibility it is still possible to provide the address of a pointer variable as final argument *ptr*\ . This use is deprecated and may be removed in the future. The *ptr* argument may be ``NULL`` and is then ignored. \endverbatim * Loading Loading @@ -205,6 +211,9 @@ 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`. If for some reason the creation or initialization of the LAMMPS instance fails a null pointer is returned. .. versionadded:: 15Sep2020 \endverbatim Loading Loading
src/library.cpp +20 −11 Original line number Diff line number Diff line Loading @@ -108,20 +108,23 @@ thus is otherwise ignored. However ``argc`` may be set to 0 and then ``argv`` may be ``NULL``. If MPI is not yet initialized, ``MPI_Init()`` will be called during creation of the LAMMPS class instance. If for some reason the creation or initialization of the LAMMPS instance fails a null pointer is returned. .. versionchanged:: 15Sep2020 The function now returns a pointer to the created LAMMPS class. If for some reason the initialization of the LAMMPS instance fails, the function returns ``NULL``. For backward compatibility it is still possible to provide the address of a pointer variable as argument *ptr*\ . This argument may be ``NULL`` and is then ignored. This function now has the pointer to the created LAMMPS class instance as return value. For backward compatibility it is still possible to provide the address of a pointer variable as final argument *ptr*\ . This use is deprecated and may be removed in the future. The *ptr* argument may be ``NULL`` and is then ignored. .. note:: This function is not declared when the code linking to the LAMMPS library interface is compiled with ``-DLAMMPS_LIB_NO_MPI``, or contains a ``#define LAMMPS_LIB_NO_MPI 1`` statement before ``#include "library.h"``. In that case, you need to use the ``#include "library.h"``. In that case, you must use the :cpp:func:`lammps_open_no_mpi` function. \endverbatim Loading Loading @@ -171,13 +174,16 @@ library was compiled in serial mode, but the calling code runs in parallel and the ``MPI_Comm`` data type of the STUBS library would not be compatible with that of the calling code. If for some reason the creation or initialization of the LAMMPS instance fails a null pointer is returned. .. versionchanged:: 15Sep2020 The function now returns a pointer to the created LAMMPS class. If for some reason the initialization of the LAMMPS instance fails, the function returns ``NULL``. For backward compatibility it is still possible to provide the address of a pointer variable as argument *ptr*\ . This argument may be ``NULL`` and is then ignored. This function now has the pointer to the created LAMMPS class instance as return value. For backward compatibility it is still possible to provide the address of a pointer variable as final argument *ptr*\ . This use is deprecated and may be removed in the future. The *ptr* argument may be ``NULL`` and is then ignored. \endverbatim * Loading Loading @@ -205,6 +211,9 @@ 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`. If for some reason the creation or initialization of the LAMMPS instance fails a null pointer is returned. .. versionadded:: 15Sep2020 \endverbatim Loading
