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discuss change to get LAMMPS handle as return value instead of argument

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Axel Kohlmeyer
2020-09-09 09:06:00 -04:00
parent dad749b62b
commit 2a42fe66ad
1 changed files with 15 additions and 5 deletions
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src/library.cpp
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@ -108,11 +108,13 @@ 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()`` ``argv`` may be ``NULL``. If MPI is not yet initialized, ``MPI_Init()``
will be called during creation of the LAMMPS class instance. will be called during creation of the LAMMPS class instance.
The function returns a pointer to the created LAMMPS class. If for some .. versionchanged:: 15Sep2020
reason the initialization of the LAMMPS instance fails, the function
returns ``NULL``. For backward compatibility it is also possible to The function now returns a pointer to the created LAMMPS class.
provide the address of a pointer variable as argument *ptr*\ . This If for some reason the initialization of the LAMMPS instance fails,
argument may be ``NULL`` and is then ignored. 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.
.. note:: .. note::
@ -169,6 +171,14 @@ 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 parallel and the ``MPI_Comm`` data type of the STUBS library would not
be compatible with that of the calling code. be compatible with that of the calling code.
.. 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.
\endverbatim \endverbatim
* *
* \param argc number of command line arguments * \param argc number of command line arguments