From b26e3c349275d504f0bee46c612cad1b170659cb Mon Sep 17 00:00:00 2001 From: Lester Hedges Date: Fri, 3 Jul 2026 09:29:06 +0100 Subject: [PATCH] Backport fix from PR #166. [ci skip] --- src/somd2/_utils/_schedules.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/somd2/_utils/_schedules.py b/src/somd2/_utils/_schedules.py index 4c49a0e..e0af131 100644 --- a/src/somd2/_utils/_schedules.py +++ b/src/somd2/_utils/_schedules.py @@ -65,14 +65,14 @@ def annihilate(fix_epsilon=True): lever="charge", equation=s.lam() * s.final() + s.initial() * (1 - s.lam()), ) - s.set_equation(stage="decharge", force="restraint", equation=s.lam() * s.final()) + s.set_equation(stage="decharge", lever="restraint", equation=s.lam() * s.final()) s.add_stage( "annihilate", equation=(-s.lam() + 1) * s.initial() + s.lam() * s.final(), ) s.set_equation(stage="annihilate", lever="charge", equation=s.final()) - s.set_equation(stage="annihilate", force="restraint", equation=s.final()) + s.set_equation(stage="annihilate", lever="restraint", equation=s.final()) if fix_epsilon: s.set_equation(stage="annihilate", lever="epsilon", equation=s.initial())