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removed one line too many
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selimsami committed Sep 16, 2024
1 parent b9d2f8d commit 80e4ecb
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1 change: 1 addition & 0 deletions qforce/fit.py
Original file line number Diff line number Diff line change
Expand Up @@ -167,3 +167,4 @@ def calc_forces(coords, mol):
for term in mol.terms:
term.do_fitting(coords, energies, force)

return energies, force

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