Skip to content

Commit

Permalink
update
Browse files Browse the repository at this point in the history
  • Loading branch information
Angel-Jia committed Oct 26, 2024
1 parent 0137804 commit e0e6ae2
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion dpdata/abacus/relax.py
Original file line number Diff line number Diff line change
Expand Up @@ -47,7 +47,7 @@ def get_coords_from_log(loglines, natoms):
natoms_log += int(line.split()[-1])

assert natoms_log > 0 and natoms_log == natoms, (
f"ERROR: detected atom number in log file is {natoms_log}, while the number in STRU file is {natoms}"
"ERROR: detected atom number in log file is %d" % natoms
)

energy = []
Expand Down

0 comments on commit e0e6ae2

Please sign in to comment.