diff --git a/src/MDI/mdi_engine.cpp b/src/MDI/mdi_engine.cpp index 87ed04037d..91933d079e 100644 --- a/src/MDI/mdi_engine.cpp +++ b/src/MDI/mdi_engine.cpp @@ -202,6 +202,7 @@ MDIEngine::MDIEngine(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp) delete[] node_engine; delete[] node_driver; + modify->delete_compute(id_ke); modify->delete_compute(id_pe); modify->delete_compute(id_press); @@ -1151,7 +1152,7 @@ void MDIEngine::receive_coords() int ierr = MDI_Recv(sys_coords, n, MDI_DOUBLE, mdicomm); if (ierr) error->all(FLERR, "MDI: >COORDS data"); MPI_Bcast(sys_coords, n, MPI_DOUBLE, 0, world); - for (int i = 0; i < n; i++) sys_coords[i] * mdi2lmp_length; + for (int i = 0; i < n; i++) sys_coords[i] *= mdi2lmp_length; } /* ---------------------------------------------------------------------- @@ -1229,7 +1230,7 @@ void MDIEngine::receive_velocities() int ierr = MDI_Recv(sys_velocities, n, MDI_DOUBLE, mdicomm); if (ierr) error->all(FLERR, "MDI: >VELOCITIES data"); MPI_Bcast(sys_velocities, n, MPI_DOUBLE, 0, world); - for (int i = 0; i < n; i++) sys_coords[i] * mdi2lmp_velocity; + for (int i = 0; i < n; i++) sys_coords[i] *= mdi2lmp_velocity; } /* ----------------------------------------------------------------------