add notes to python versions of lammps_extract_fix() that for global data one can only retrieve scalars

This commit is contained in:
Axel Kohlmeyer
2024-03-19 22:39:05 -04:00
parent d0e2a846b2
commit 2dd9560439
3 changed files with 26 additions and 10 deletions

View File

@ -203,6 +203,13 @@ class numpy_wrapper:
It behaves the same as the original method, but returns NumPy arrays
instead of ``ctypes`` pointers.
.. note::
When requesting global data, the fix data can only be accessed one
item at a time without access to the whole vector or array. Thus this
function will always return a scalar. To access vector or array elements
the "nrow" and "ncol" arguments need to be set accordingly (they default to 0).
:param fid: fix ID
:type fid: string
:param fstyle: style of the data retrieve (global, atom, or local), see :ref:`py_style_constants`