diff --git a/src/verlet.cpp b/src/verlet.cpp index fe768f94c9b8d39591596f037ece379cf036a00e..fcba248d5f8ddcc1e46cd0d8ec8a4ae2e04351a4 100644 --- a/src/verlet.cpp +++ b/src/verlet.cpp @@ -75,7 +75,6 @@ void Verlet::init() torqueflag = extraflag = 0; if (atom->torque_flag) torqueflag = 1; if (atom->avec->forceclearflag) extraflag = 1; - if (atom->sp_flag) extraflag = 1; // orthogonal vs triclinic simulation box @@ -312,7 +311,6 @@ void Verlet::run(int n) timer->stamp(Timer::PAIR); } - if (atom->molecular) { if (force->bond) force->bond->compute(eflag,vflag); if (force->angle) force->angle->compute(eflag,vflag);