update some version strings for library and python APIs
This commit is contained in:
@ -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
|
||||
|
||||
@ -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
|
||||
|
||||
Reference in New Issue
Block a user