diff --git a/src/mps_utils.jl b/src/mps_utils.jl index 5ed0419..664aff9 100644 --- a/src/mps_utils.jl +++ b/src/mps_utils.jl @@ -272,7 +272,14 @@ function run(ahs_json, args) C6 = args["C6"] interaction_R = args["interaction-radius"] n_shots = args["shots"] - Vij, protocol, N = parse_ahs_program(ahs_json, args) + # Vij, protocol, N = parse_ahs_program(ahs_json, args) + + # Read atom coords and fillings + atom_coordinates, _ = get_atom_coordinates(ahs_json) + N = length(atom_coordinates) + + Vij = get_Vij(atom_coordinates, N, interaction_R, C6) + protocol = parse_protocol(ahs_json, n_τ_steps) @info "Preparing initial ψ MPS" s = siteinds("S=1/2", N; conserve_qns=false)