diff --git a/python/lammps/core.py b/python/lammps/core.py index 03378f471d..c89c115d1f 100644 --- a/python/lammps/core.py +++ b/python/lammps/core.py @@ -1781,6 +1781,8 @@ class lammps(object): - x is a 2d NumPy array of doubles of the coordinates of the local atoms - f is a 2d NumPy array of doubles of the forces on the local atoms that will be added + .. versionchanged:: 28Jul2021 + :param fix_id: Fix-ID of a fix external instance :type: string :param callback: Python function that will be called from fix external @@ -1811,6 +1813,8 @@ class lammps(object): This is a wrapper around the :cpp:func:`lammps_fix_external_get_force` function of the C-library interface. + .. versionadded:: 28Jul2021 + :param fix_id: Fix-ID of a fix external instance :type: string :return: requested data @@ -1829,6 +1833,8 @@ class lammps(object): This is a wrapper around the :cpp:func:`lammps_fix_external_set_energy_global` function of the C-library interface. + .. versionadded:: 28Jul2021 + :param fix_id: Fix-ID of a fix external instance :type: string :param eng: potential energy value to be added by fix external @@ -1846,6 +1852,8 @@ class lammps(object): This is a wrapper around the :cpp:func:`lammps_fix_external_set_virial_global` function of the C-library interface. + .. versionadded:: 28Jul2021 + :param fix_id: Fix-ID of a fix external instance :type: string :param eng: list of 6 floating point numbers with the virial to be added by fix external @@ -1864,6 +1872,8 @@ class lammps(object): This is a wrapper around the :cpp:func:`lammps_fix_external_set_energy_peratom` function of the C-library interface. + .. versionadded:: 28Jul2021 + :param fix_id: Fix-ID of a fix external instance :type: string :param eatom: list of potential energy values for local atoms to be added by fix external @@ -1885,6 +1895,8 @@ class lammps(object): This is a wrapper around the :cpp:func:`lammps_fix_external_set_virial_peratom` function of the C-library interface. + .. versionadded:: 28Jul2021 + :param fix_id: Fix-ID of a fix external instance :type: string :param vatom: list of natoms lists with 6 floating point numbers to be added by fix external @@ -1915,6 +1927,8 @@ class lammps(object): This is a wrapper around the :cpp:func:`lammps_fix_external_set_vector_length` function of the C-library interface. + .. versionadded:: 28Jul2021 + :param fix_id: Fix-ID of a fix external instance :type: string :param length: length of the global vector @@ -1931,6 +1945,8 @@ class lammps(object): This is a wrapper around the :cpp:func:`lammps_fix_external_set_vector` function of the C-library interface. + .. versionadded:: 28Jul2021 + :param fix_id: Fix-ID of a fix external instance :type: string :param idx: 1-based index of the value in the global vector diff --git a/python/lammps/numpy_wrapper.py b/python/lammps/numpy_wrapper.py index a6cde93b95..2f0f74594e 100644 --- a/python/lammps/numpy_wrapper.py +++ b/python/lammps/numpy_wrapper.py @@ -274,6 +274,8 @@ class numpy_wrapper: method. It behaves the same as the original method, but returns a NumPy array instead of a ``ctypes`` pointer. + .. versionchanged:: 28Jul2021 + :param fix_id: Fix-ID of a fix external instance :type: string :return: requested data @@ -294,6 +296,8 @@ class numpy_wrapper: method. It behaves the same as the original method, but accepts a NumPy array instead of a list as argument. + .. versionadded:: 28Jul2021 + :param fix_id: Fix-ID of a fix external instance :type: string :param eatom: per-atom potential energy @@ -319,6 +323,8 @@ class numpy_wrapper: method. It behaves the same as the original method, but accepts a NumPy array instead of a list as argument. + .. versionadded:: 28Jul2021 + :param fix_id: Fix-ID of a fix external instance :type: string :param eatom: per-atom potential energy diff --git a/src/library.cpp b/src/library.cpp index 5cb101d6a4..f534af0925 100644 --- a/src/library.cpp +++ b/src/library.cpp @@ -367,7 +367,7 @@ must be explicitly shut down after any LAMMPS instance using it is closed (to release associated resources). After calling this function no Kokkos functionality may be used. -.. versionadded:: TBD +.. versionadded:: 2Jul2021 \endverbatim */ @@ -4945,6 +4945,8 @@ Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. +.. versionchanged:: 28Jul2021 + \endverbatim * * \param handle pointer to a previously created LAMMPS instance cast to ``void *``. @@ -5008,6 +5010,8 @@ Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. +.. versionadded:: 28Jul2021 + \endverbatim * * \param handle pointer to a previously created LAMMPS instance cast to ``void *``. @@ -5056,6 +5060,8 @@ Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. +.. versionadded:: 28Jul2021 + \endverbatim * * \param handle pointer to a previously created LAMMPS instance cast to ``void *``. @@ -5105,6 +5111,8 @@ Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. +.. versionadded:: 28Jul2021 + \endverbatim * * \param handle pointer to a previously created LAMMPS instance cast to ``void *``. @@ -5154,6 +5162,8 @@ Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. +.. versionadded:: 28Jul2021 + \endverbatim * * \param handle pointer to a previously created LAMMPS instance cast to ``void *``. @@ -5206,6 +5216,8 @@ Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. +.. versionadded:: 28Jul2021 + \endverbatim * * \param handle pointer to a previously created LAMMPS instance cast to ``void *``. @@ -5251,6 +5263,8 @@ Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. +.. versionadded:: 28Jul2021 + \endverbatim * * \param handle pointer to a previously created LAMMPS instance cast to ``void *``. @@ -5305,6 +5319,8 @@ Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. +.. versionadded:: 28Jul2021 + \endverbatim * * \param handle pointer to a previously created LAMMPS instance cast to ``void *``.