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

2024-01-12 18:40:30 -05:00
parent a131b90962
commit 39579d21c8
1 changed files with 1 additions and 1 deletions
--- a/src/OPENMP/angle_cosine_periodic_omp.cpp
+++ b/src/OPENMP/angle_cosine_periodic_omp.cpp
@ -140,7 +140,7 @@ void AngleCosinePeriodicOMP::eval(int nfrom, int nto, ThrData * const thr)
    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;