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Merge pull request #137 from akalpokas/fix_ring_break_morph
2 parents 40f5aa2 + 85642be commit 778300f

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src/somd2/config/_config.py

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@@ -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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