Dear Lammps users,
I was reading the method “setup_pre_force(int vflag, int ilevel)” in “modify.cpp”:
void Modify::setup_pre_force_respa(int vflag, int ilevel)
{
for (int i = 0; i < n_pre_force; i++)
fix[list_pre_force[i]]->setup_pre_force_respa(vflag,ilevel);
}
Here I think that the variable “n_pre_force” should be “n_pre_force_respa” and “list_pre_force” should be “list_pre_force_respa”.
This is because for respa integrator, LAMMPS has different list to store the fix index. “n_pre_force” and “list_pre_force” are not for respa integrator.
Is that correct?
Thanks!
Best,
Rui