Reorganize and limit exports

Author: lkdvos

Project.toml

@@ -6,6 +6,7 @@ version = "0.12.0"
 [deps]
 Accessors = "7d9f7c33-5ae7-4f3b-8dc6-eff91059b697"
 BlockTensorKit = "5f87ffc2-9cf1-4a46-8172-465d160bd8cd"
+Compat = "34da2185-b29b-5c13-b0c7-acf172513d20"
 DocStringExtensions = "ffbed154-4ef7-542d-bbb7-c09d3a79fcae"
 HalfIntegers = "f0d1745a-41c9-11e9-1dd9-e5d34d218721"
 KrylovKit = "0b1a1467-8014-51b9-945f-bf0ae24f4b77"
@@ -25,6 +26,7 @@ VectorInterface = "409d34a3-91d5-4945-b6ec-7529ddf182d8"
 Accessors = "0.1"
 Aqua = "0.8.9"
 BlockTensorKit = "0.1.1"
+Compat = "3.47, 4.10"
 DocStringExtensions = "0.9.3"
 HalfIntegers = "1.6.0"
 KrylovKit = "0.8.3"

src/MPSKit.jl

@@ -1,5 +1,62 @@
 module MPSKit
 
+# Public API
+# ----------
+# utility:
+export PeriodicArray, PeriodicVector, PeriodicMatrix
+export WindowArray
+export left_virtualspace, right_virtualspace, physicalspace
+export braille
+
+# states:
+export FiniteMPS
+export InfiniteMPS
+export WindowMPS
+export MultilineMPS
+export QP, LeftGaugedQP, RightGaugedQP
+
+# operators:
+export AbstractMPO
+export MPO, FiniteMPO, InfiniteMPO
+export MPOHamiltonian, FiniteMPOHamiltonian, InfiniteMPOHamiltonian
+export MultilineMPO
+export UntimedOperator, TimedOperator, MultipliedOperator, LazySum
+
+# environments:
+export environments
+export leftenv, rightenv
+
+# algorithms:
+export find_groundstate, find_groundstate!
+export leading_boundary
+export approximate, approximate!
+export VUMPS, VOMPS, DMRG, DMRG2, IDMRG1, IDMRG2, GradientGrassmann
+export excitations
+export FiniteExcited, QuasiparticleAnsatz, ChepigaAnsatz, ChepigaAnsatz2
+export time_evolve, timestep, timestep!, make_time_mpo
+export TDVP, TDVP2, WI, WII, TaylorCluster
+export changebonds, changebonds!
+export VUMPSSvdCut, OptimalExpand, SvdCut, RandExpand
+export propagator
+export DynamicalDMRG, NaiveInvert, Jeckelmann
+export exact_diagonalization, fidelity_susceptibility
+
+# toolbox:
+export expectation_value, correlator, variance
+export correlation_length, marek_gap, transfer_spectrum
+export entropy, entanglement_spectrum
+export open_boundary_conditions, periodic_boundary_conditions
+export entanglementplot, transferplot
+export r_LL, l_LL, r_RR, l_RR, r_RL, r_LR, l_RL, l_LR # TODO: rename
+
+# unexported
+using Compat: @compat
+@compat public DynamicTols
+@compat public VERBOSE_NONE, VERBOSE_WARN, VERBOSE_CONV, VERBOSE_ITER, VERBOSE_ALL
+@compat public IterLog, loginit!, logiter!, logfinish!, logcancel!
+
+# Imports
+# -------
 using TensorKit
 using TensorKit: BraidingTensor
 using BlockTensorKit
@@ -22,49 +79,8 @@ using Base: @kwdef
 using LoggingExtras
 using OhMyThreads
 
-# bells and whistles for mpses
-export InfiniteMPS, FiniteMPS, WindowMPS, MultilineMPS
-export PeriodicArray, PeriodicVector, PeriodicMatrix, WindowArray
-export MPSTensor
-export QP, LeftGaugedQP, RightGaugedQP
-export r_LL, l_LL, r_RR, l_RR, r_RL, r_LR, l_RL, l_LR # should be properties
-
-# useful utility functions?
-export add_util_leg, max_Ds, recalculate!
-export left_virtualspace, right_virtualspace, physicalspace
-export entanglementplot, transferplot
-export braille
-
-# hamiltonian things
-export AbstractMPO
-export MPO, FiniteMPO, InfiniteMPO
-export MPOHamiltonian, FiniteMPOHamiltonian, InfiniteMPOHamiltonian
-export SparseMPO, DenseMPO, MultilineMPO
-export UntimedOperator, TimedOperator, MultipliedOperator, LazySum
-
-export ∂C, ∂AC, ∂AC2, environments, expectation_value, effective_excitation_hamiltonian
-export leftenv, rightenv
-
-# algos
-export find_groundstate!, find_groundstate, leading_boundary
-export VUMPS, VOMPS, DMRG, DMRG2, IDMRG1, IDMRG2, GradientGrassmann
-export excitations, FiniteExcited, QuasiparticleAnsatz, ChepigaAnsatz, ChepigaAnsatz2
-export marek_gap, correlation_length, correlator
-export time_evolve, timestep!, timestep
-export TDVP, TDVP2, make_time_mpo, WI, WII, TaylorCluster
-export entanglement_spectrum, transfer_spectrum, variance
-export changebonds!, changebonds, VUMPSSvdCut, OptimalExpand, SvdCut, RandExpand
-export entropy
-export propagator, NaiveInvert, Jeckelmann, DynamicalDMRG
-export fidelity_susceptibility
-export approximate!, approximate
-export periodic_boundary_conditions, open_boundary_conditions
-export exact_diagonalization
-
-# transfer matrix
-export TransferMatrix
-export transfer_left, transfer_right
-
+# Includes
+# --------
 include("algorithms/algorithm.jl")
 
 # submodules

src/algorithms/grassmann.jl

@@ -11,7 +11,8 @@ The module exports nothing, and all references to it should be qualified, e.g.
 module GrassmannMPS
 
 using ..MPSKit
-using ..MPSKit: AbstractMPSEnvironments, InfiniteEnvironments, MultilineEnvironments, ∂∂AC
+using ..MPSKit: AbstractMPSEnvironments, InfiniteEnvironments, MultilineEnvironments, ∂∂AC,
+                recalculate!
 using TensorKit
 using OhMyThreads
 import TensorKitManifolds.Grassmann

test/algorithms.jl

@@ -498,7 +498,7 @@ end
         Δt = 0.1
         expH = make_time_mpo(H, Δt, WII())
 
-        O = DenseMPO(expH)
+        O = MPSKit.DenseMPO(expH)
         Op = periodic_boundary_conditions(O, 10)
         Op′ = changebonds(Op, SvdCut(; trscheme=truncdim(5)))
 
@@ -698,8 +698,8 @@ end
         dt = 1e-3
         sW1 = make_time_mpo(H, dt, TaylorCluster(; N=3))
         sW2 = make_time_mpo(H, dt, WII())
-        W1 = DenseMPO(sW1)
-        W2 = DenseMPO(sW2)
+        W1 = MPSKit.DenseMPO(sW1)
+        W2 = MPSKit.DenseMPO(sW2)
 
         ψ1, _ = approximate(ψ, (sW1, ψ), VOMPS(; verbosity))
         ψ2, _ = approximate(ψ, (W2, ψ), VOMPS(; verbosity))

test/operators.jl

@@ -241,7 +241,7 @@ end
 
     ψ = InfiniteMPS([pspace], [ou ⊕ pspace])
 
-    W = DenseMPO(make_time_mpo(ham, 1im * 0.5, WII()))
+    W = MPSKit.DenseMPO(make_time_mpo(ham, 1im * 0.5, WII()))
     @test W * (W * ψ) ≈ (W * W) * ψ atol = 1e-2 # TODO: there is a normalization issue here
 end
 

test/states.jl

@@ -9,6 +9,7 @@ using ..TestSetup
 using Test, TestExtras
 using MPSKit
 using MPSKit: _transpose_front, _transpose_tail
+using MPSKit: TransferMatrix
 using TensorKit
 using TensorKit: ℙ
 
@@ -185,8 +186,8 @@ end
         normalize!(ψ)
 
         #rand_quasiparticle is a private non-exported function
-        ϕ₁ = MPSKit.LeftGaugedQP(rand, ψ)
-        ϕ₂ = MPSKit.LeftGaugedQP(rand, ψ)
+        ϕ₁ = LeftGaugedQP(rand, ψ)
+        ϕ₂ = LeftGaugedQP(rand, ψ)
 
         @test norm(axpy!(1, ϕ₁, copy(ϕ₂))) ≤ norm(ϕ₁) + norm(ϕ₂)
         @test norm(ϕ₁) * 3 ≈ norm(ϕ₁ * 3)
@@ -200,7 +201,7 @@ end
         @test norm(ϕ₁_f) ≈ norm(ϕ₁) atol = 1e-5
 
         ev_f = expectation_value(ϕ₁_f, H) - expectation_value(ψ, H)
-        ev_q = dot(ϕ₁, effective_excitation_hamiltonian(H, ϕ₁))
+        ev_q = dot(ϕ₁, MPSKit.effective_excitation_hamiltonian(H, ϕ₁))
         @test ev_f ≈ ev_q atol = 1e-5
     end
 
@@ -212,14 +213,14 @@ end
         ψ = InfiniteMPS(fill(d, period), fill(D, period))
 
         #rand_quasiparticle is a private non-exported function
-        ϕ₁ = MPSKit.LeftGaugedQP(rand, ψ)
-        ϕ₂ = MPSKit.LeftGaugedQP(rand, ψ)
+        ϕ₁ = LeftGaugedQP(rand, ψ)
+        ϕ₂ = LeftGaugedQP(rand, ψ)
 
         @test norm(axpy!(1, ϕ₁, copy(ϕ₂))) ≤ norm(ϕ₁) + norm(ϕ₂)
         @test norm(ϕ₁) * 3 ≈ norm(ϕ₁ * 3)
 
         @test dot(ϕ₁,
-                  convert(MPSKit.LeftGaugedQP, convert(MPSKit.RightGaugedQP, ϕ₁))) ≈
+                  convert(LeftGaugedQP, convert(RightGaugedQP, ϕ₁))) ≈
               dot(ϕ₁, ϕ₁) atol = 1e-10
     end
 end