correct factor 2 force error for m=1 in angle style cosine/periodic

2024-01-12 11:48:58 -05:00
parent 48e0859f0d
commit bfd15408ba
1 changed files with 1 additions and 1 deletions
--- a/src/EXTRA-MOLECULE/angle_cosine_periodic.cpp
+++ b/src/EXTRA-MOLECULE/angle_cosine_periodic.cpp
@ -117,7 +117,7 @@ void AngleCosinePeriodic::compute(int eflag, int vflag)
    tn = 1.0;
    tn_1 = 1.0;
    tn_2 = 0.0;
-    un = 1.0;
+    un = (m==1) ? 2.0 : 1.0;
    un_1 = 2.0;
    un_2 = 0.0;