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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed Aug 15, 2023
1 parent 98222e8 commit ed3808c
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Showing 2 changed files with 5 additions and 9 deletions.
4 changes: 1 addition & 3 deletions dpgen/auto_test/lib/mfp_eosfit.py
Original file line number Diff line number Diff line change
Expand Up @@ -1669,9 +1669,7 @@ def lsqfit_eos(
fve.flush()
p_tmp = repro_press[i]
fvp.write(
"{:20f}\t{:20f}\t{:20f}\t{:20f}\n".format(
vol[i], p_tmp, p_tmp / 100, p_tmp * 10
)
f"{vol[i]:20f}\t{p_tmp:20f}\t{p_tmp / 100:20f}\t{p_tmp * 10:20f}\n"
)
fvp.flush()
fve.close()
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10 changes: 4 additions & 6 deletions dpgen/data/gen.py
Original file line number Diff line number Diff line change
Expand Up @@ -1090,8 +1090,8 @@ def coll_vasp_md(jdata):
arg_cvt = " "
if len(valid_outcars) == 0:
raise RuntimeError(
"MD dir: {}: find no valid outcar in sys {}, "
"check if your vasp md simulation is correctly done".format(path_md, ii)
f"MD dir: {path_md}: find no valid outcar in sys {ii}, "
"check if your vasp md simulation is correctly done"
)

flag = True
Expand Down Expand Up @@ -1228,10 +1228,8 @@ def coll_abacus_md(jdata):
arg_cvt = " "
if len(valid_outcars) == 0:
raise RuntimeError(
"MD dir: {}: find no valid OUT.ABACUS in sys {}, "
"check if your abacus md simulation is correctly done.".format(
path_md, ii
)
f"MD dir: {path_md}: find no valid OUT.ABACUS in sys {ii}, "
"check if your abacus md simulation is correctly done."
)

flag = True
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