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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed Sep 4, 2023
1 parent edaa946 commit 3b3d720
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions dpdata/cp2k/output.py
Original file line number Diff line number Diff line change
Expand Up @@ -411,10 +411,10 @@ def get_frames(fname):
atom_symbol_list.append(ii.split()[3])

# start to parse coords block
if "Atom Kind Element" in ii or "Atom Kind Element" in ii:
if "Atom Kind Element" in ii or "Atom Kind Element" in ii:
coord_flag = True
coord_idx = idx # save start line of coord block
# parse coords lines
coord_idx = idx # save start line of coord block
# parse coords lines
if coord_flag and idx > coord_idx:
if ii == "\n":
coord_flag = len(coord) == 0 # skip empty line at the beginning
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