Skip to content

WIP: Use iread function in _iread

Alexander Tygesen requested to merge use_iread into master

A continuation of the work in !1129 (closed) (and therefore makes that MR obsolete). Attempt to use the iread version of a reader function if it exists, is the user explicitly uses the from ase.io import iread version.

Currently, breaks with the xsf.py function in testing, but it looks like quite a bit of work to fix it, so i left it for now.

In the case of reading VASP OUTCARs, the iread function is now always used behind the scenes, which means that if we don't request all atoms objects, we not longer actually read the entire outcar, but only relevant parts (which again can speed things up quite significantly in some cases).

Initial thoughts, @askhl ?

Edited by Ask Hjorth Larsen

Merge request reports