Bernard Field

icon company Lawrence Berkeley National Laboratory icon location Berkeley, California, USA icon location Postdoctoral scholar researching quantum materials at LBNL.

Results 2 issues of Bernard Field

Unclosed files

This is not a critical error (everything still works as expected), but it is bad practice and it throws annoying ResourceWarning's when I try to unittest code which uses the...

spd_orb in ProcarParser truncates ions instead of orbitals

3 comment

I noticed in ProcarParser, it has a property spd_orb which, according to comments, takes the 5D spd array and trims out the indices and total from the orbital axis. ```python...