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2 parents 40f5aa2 + 85642be commit 778300fCopy full SHA for 778300f
1 file changed
src/somd2/config/_config.py
@@ -1033,6 +1033,9 @@ def lambda_schedule(self, lambda_schedule):
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lever="morse_soft",
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equation=1 - self._lambda_schedule.lam(),
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)
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+ self._lambda_schedule.set_equation(
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+ stage="restraints_off", lever="morse_hard", equation=0
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+ )
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self._lambda_schedule.set_equation(
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stage="restraints_off",
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lever="bond_k",
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