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