void Wfcgrid::update_potential_1D(Hamiltonian& ham){
/**
\brief Update the Hamiltonian for 1D grid
\param[in,out] ham The Hamiltonian object. The internal state of the object will be updated
Eventually, it will correspond to that of the last point on the grid. Here, we use this
Hamiltonian object only as the functor (it defines how to compute potential and couplings), but
we don't care about the final state of the ham variable. The results for each point of the grid
will be saved internally in H matrix.
This function recomputes the Hamiltonian for all points
working in atomic units: hbar = 1
*/
vector<double> q(1, 0.0);
// Precompute H, d_ij, ... along grid
for(int nx=0;nx<Nx;nx++){
// For all r points of the grid compute local(potential energy) part
q[0] = real(X->M[nx]);
ham.set_q(q);
ham.compute();
for(int nst=0;nst<nstates;nst++){
for(int nst1=0;nst1<nstates;nst1++){
H[nst][nst1].M[nx] = ham.Hvib(nst, nst1);
}// for nst1
}// for nst
}// for nx
}// update_potential_1D
