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Update SIAB/spillage/api.py
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Co-authored-by: coderabbitai[bot] <136622811+coderabbitai[bot]@users.noreply.github.com>
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kirk0830 and coderabbitai[bot] authored Sep 29, 2024
1 parent 60364fc commit 25235f0
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion SIAB/spillage/api.py
Original file line number Diff line number Diff line change
Expand Up @@ -119,7 +119,7 @@ def _coef_opt_jy(rcut, orbparams, folders, options, nthreads, spill_coefs = None
minimizer = Spillage_jy()
print(f"ORBGEN: Optimizing orbitals for rcut = {rcut} au", flush = True)
if spill_coefs:
print(f"ORBGEN: For jy, spill_coefs is deprecated.", flush = True)
print("ORBGEN: For jy, spill_coefs is deprecated.", flush = True)

configs = [folders[indf] for orb in orbparams for indf in orb['folder']]
configs = list(set([folder for f in configs for folder in f]))
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