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move versionadded tags to the top, replace some missed TBD with version info

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Axel Kohlmeyer
2023-06-08 13:11:19 -04:00
parent 3f6032e80d
commit b093f1aac1
3 changed files with 125 additions and 118 deletions
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28
python/lammps/numpy_wrapper.py
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@ -262,12 +262,12 @@ class numpy_wrapper:
def gather_bonds(self):
"""Retrieve global list of bonds as NumPy array
.. versionadded:: 28Jul2021
This is a wrapper around :py:meth:`lammps.gather_bonds() <lammps.lammps.gather_bonds()>`
It behaves the same as the original method, but returns a NumPy array instead
of a ``ctypes`` list.
.. versionadded:: 28Jul2021
:return: the requested data as a 2d-integer numpy array
:rtype: numpy.array(nbonds,3)
"""
@ -280,12 +280,12 @@ class numpy_wrapper:
def gather_angles(self):
""" Retrieve global list of angles as NumPy array
.. versionadded:: 8Feb2023
This is a wrapper around :py:meth:`lammps.gather_angles() <lammps.lammps.gather_angles()>`
It behaves the same as the original method, but returns a NumPy array instead
of a ``ctypes`` list.
.. versionadded:: TBD
:return: the requested data as a 2d-integer numpy array
:rtype: numpy.array(nangles,4)
"""
@ -298,12 +298,12 @@ class numpy_wrapper:
def gather_dihedrals(self):
""" Retrieve global list of dihedrals as NumPy array
.. versionadded:: 8Feb2023
This is a wrapper around :py:meth:`lammps.gather_dihedrals() <lammps.lammps.gather_dihedrals()>`
It behaves the same as the original method, but returns a NumPy array instead
of a ``ctypes`` list.
.. versionadded:: TBD
:return: the requested data as a 2d-integer numpy array
:rtype: numpy.array(ndihedrals,5)
"""
@ -316,12 +316,12 @@ class numpy_wrapper:
def gather_impropers(self):
""" Retrieve global list of impropers as NumPy array
.. versionadded:: 8Feb2023
This is a wrapper around :py:meth:`lammps.gather_impropers() <lammps.lammps.gather_impropers()>`
It behaves the same as the original method, but returns a NumPy array instead
of a ``ctypes`` list.
.. versionadded:: TBD
:return: the requested data as a 2d-integer numpy array
:rtype: numpy.array(nimpropers,5)
"""
@ -334,13 +334,13 @@ class numpy_wrapper:
def fix_external_get_force(self, fix_id):
"""Get access to the array with per-atom forces of a fix external instance with a given fix ID.
.. versionchanged:: 28Jul2021
This function is a wrapper around the
:py:meth:`lammps.fix_external_get_force() <lammps.lammps.fix_external_get_force()>`
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
@ -356,13 +356,13 @@ class numpy_wrapper:
def fix_external_set_energy_peratom(self, fix_id, eatom):
"""Set the per-atom energy contribution for a fix external instance with the given ID.
.. versionadded:: 28Jul2021
This function is an alternative to
:py:meth:`lammps.fix_external_set_energy_peratom() <lammps.lammps.fix_external_set_energy_peratom()>`
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
@ -383,13 +383,13 @@ class numpy_wrapper:
def fix_external_set_virial_peratom(self, fix_id, vatom):
"""Set the per-atom virial contribution for a fix external instance with the given ID.
.. versionadded:: 28Jul2021
This function is an alternative to
:py:meth:`lammps.fix_external_set_virial_peratom() <lammps.lammps.fix_external_set_virial_peratom()>`
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