diff --git a/src/library.cpp b/src/library.cpp index b306a953bd..3b245cb5be 100644 --- a/src/library.cpp +++ b/src/library.cpp @@ -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 @@ -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 * @@ -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