diff --git a/src/pair.cpp b/src/pair.cpp index 65039615e3..a9062e315e 100644 --- a/src/pair.cpp +++ b/src/pair.cpp @@ -1436,6 +1436,10 @@ void Pair::virial_fdotr_compute() } } + // prevent multiple calls to update the virial + // when a hybrid pair style uses both a gpu and non-gpu pair style + // or when respa is used with gpu pair styles + vflag_fdotr = 0; }