import jax.numpy as jnp from varipeps import varipeps_config from varipeps.ctmrg import calc_ctmrg_env, CTMRGNotConvergedError from varipeps.peps import PEPS_Unit_Cell from . import overlap_single_site from . import overlap_four_sites overlap_mapping = { (1, 1): overlap_single_site.Overlap_Single_Site, (2, 2): overlap_four_sites.Overlap_Four_Sites_Square, } def calculate_overlap( unitcell_A, unitcell_B, chi, max_chi, *, test_automatic_overlap_conv=True ): structure_A = tuple(tuple(i) for i in unitcell_A.data.structure) structure_B = tuple(tuple(i) for i in unitcell_B.data.structure) if structure_A != structure_B: raise ValueError("Structure of both unit cells have to be the same.") size = unitcell_A.get_size() num_tensors = size[0] * size[1] overlap_func = overlap_mapping[size].calc_overlap unitcell_A = unitcell_A.convert_to_full_transfer() unitcell_B = unitcell_B.convert_to_full_transfer() norm_A = overlap_func(unitcell_A) norm_B = overlap_func(unitcell_B) overlap_tensors = [ type(t).from_tensor( t.tensor / norm_A ** (1 / (2 * num_tensors)), t.d, t.D, chi, max_chi=max_chi ) for t in unitcell_A.get_unique_tensors() ] for i, e in enumerate(overlap_tensors): e.tensor_conj = unitcell_B.get_unique_tensors()[i].tensor.conj() / norm_B ** ( 1 / (2 * num_tensors) ) overlap_unitcell = PEPS_Unit_Cell.from_tensor_list(overlap_tensors, structure_A) if test_automatic_overlap_conv: tmp_max_steps = varipeps_config.ctmrg_max_steps tmp_fail = varipeps_config.ctmrg_fail_if_not_converged varipeps_config.ctmrg_fail_if_not_converged = False varipeps_config.ctmrg_max_steps = 10 overlap_unitcell, _ = calc_ctmrg_env( [i.tensor for i in overlap_tensors], overlap_unitcell ) overlap_AB = overlap_func(overlap_unitcell) varipeps_config.ctmrg_max_steps = 1 for count in range(tmp_max_steps): old_overlap_AB = overlap_AB overlap_unitcell, _ = calc_ctmrg_env( [i.tensor for i in overlap_tensors], overlap_unitcell ) overlap_AB = overlap_func(overlap_unitcell) if ( jnp.abs(overlap_AB - old_overlap_AB) <= varipeps_config.ctmrg_convergence_eps ): varipeps_config.ctmrg_fail_if_not_converged = tmp_fail varipeps_config.ctmrg_max_steps = tmp_max_steps break if count == (tmp_max_steps - 1): raise CTMRGNotConvergedError else: overlap_unitcell, _ = calc_ctmrg_env( [i.tensor for i in overlap_tensors], overlap_unitcell ) overlap_AB = overlap_func(overlap_unitcell) return overlap_AB