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Fixed code formatting
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craabreu committed Dec 20, 2023
1 parent 8884076 commit 6274c42
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion cvpack/attraction_strength.py
Original file line number Diff line number Diff line change
Expand Up @@ -140,7 +140,8 @@ def __init__( # pylint: disable=too-many-arguments
cutoff = mmunit.value_in_md_units(nonbondedForce.getCutoffDistance())
ref = 1 if reference is None else mmunit.value_in_md_units(reference)
super().__init__(
f"{4 / ref}*epsilon*(1/y - 1/y^2) + {ONE_4PI_EPS0 / ref}*q12sq*(1/x + (x^2 - 3)/2)"
f"{4 / ref}*epsilon*(1/y - 1/y^2)"
f" + {ONE_4PI_EPS0 / ref}*q12sq*(1/x + (x^2 - 3)/2)"
f"; x = r/{cutoff}"
"; y = abs((r/sigma)^6 - 2) + 2"
"; q12sq = max(0, -charge1*charge2)"
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