Skip to content

Commit

Permalink
Update cp2k_output_tools/blocks/energies.py
Browse files Browse the repository at this point in the history
Co-authored-by: Tiziano Müller <[email protected]>
  • Loading branch information
hdsassnick and dev-zero authored Dec 11, 2023
1 parent ede7500 commit a055b49
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion cp2k_output_tools/blocks/energies.py
Original file line number Diff line number Diff line change
Expand Up @@ -39,7 +39,7 @@ def match_energies(content: str) -> Optional[BlockMatch]:
match = FORCE_EVAL_ENERGY_RE.search(content)
if match:
energies["total force_eval"] = match["value"]
spans += match.spans(0)
spans += [match.spans(0)]
if not energies:
return None
return BlockMatch({"energies": {key: float(val) for key, val in energies.items() if val is not None}}, spans)

0 comments on commit a055b49

Please sign in to comment.