# fd = '../data/HUBBARD-L8.FCIDUMP'
# fd = '../data/HUBBARD-L16.FCIDUMP'
# fd = '../data/N2.STO3G.FCIDUMP'
# fd = '../data/H8.STO6G.R1.8.FCIDUMP'
fd = '../data/H10.STO6G.R1.8.FCIDUMP'
# fd = '../my_test/n2/N2.FCIDUMP'
# fd = '../data/CR2.SVP.FCIDUMP'
occ = None
ket_bond_dim = 500
bra_bond_dim = 750
# occf = '../data/CR2.SVP.OCC'
# occ = [float(x) for x in open(occf, 'r').readline().split()]
hamil = Hamiltonian(FCIDUMP(pg='d2h').read(fd), flat=True)
tx = time.perf_counter()
mpo = hamil.build_qc_mpo()
print('MPO (NC) = ', mpo.show_bond_dims())
print('build mpo time = ', time.perf_counter() - tx)
tx = time.perf_counter()
mpo, _ = mpo.compress(left=True, cutoff=1E-9, norm_cutoff=1E-9)
print('MPO (compressed) = ', mpo.show_bond_dims())
print('compress mpo time = ', time.perf_counter() - tx)
mps = hamil.build_mps(ket_bond_dim, occ=occ)
print('MPS = ', mps.show_bond_dims())
bdims = [500]