update some version strings for library and python APIs

This commit is contained in:
Axel Kohlmeyer
2021-07-26 23:10:24 -04:00
parent 458253b452
commit a4ffffad33
3 changed files with 39 additions and 1 deletions

View File

@ -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

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@ -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