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dmrg.jl
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169 lines (136 loc) · 5.81 KB
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"""
$(TYPEDEF)
Single-site DMRG algorithm for finding the dominant eigenvector.
## Fields
$(TYPEDFIELDS)
"""
struct DMRG{A,F} <: Algorithm
"tolerance for convergence criterium"
tol::Float64
"maximal amount of iterations"
maxiter::Int
"setting for how much information is displayed"
verbosity::Int
"algorithm used for the eigenvalue solvers"
alg_eigsolve::A
"callback function applied after each iteration, of signature `finalize(iter, ψ, H, envs) -> ψ, envs`"
finalize::F
end
function DMRG(; tol=Defaults.tol, maxiter=Defaults.maxiter, alg_eigsolve=(;),
verbosity=Defaults.verbosity, finalize=Defaults._finalize)
alg_eigsolve′ = alg_eigsolve isa NamedTuple ? Defaults.alg_eigsolve(; alg_eigsolve...) :
alg_eigsolve
return DMRG(tol, maxiter, verbosity, alg_eigsolve′, finalize)
end
function find_groundstate!(ψ::AbstractFiniteMPS, H, alg::DMRG, envs=environments(ψ, H))
ϵs = map(pos -> calc_galerkin(pos, ψ, H, ψ, envs), 1:length(ψ))
ϵ = maximum(ϵs)
log = IterLog("DMRG")
LoggingExtras.withlevel(; alg.verbosity) do
@infov 2 loginit!(log, ϵ, expectation_value(ψ, H, envs))
for iter in 1:(alg.maxiter)
alg_eigsolve = updatetol(alg.alg_eigsolve, iter, ϵ)
zerovector!(ϵs)
for pos in [1:(length(ψ) - 1); length(ψ):-1:2]
h = AC_hamiltonian(pos, ψ, H, ψ, envs)
_, vec = fixedpoint(h, ψ.AC[pos], :SR, alg_eigsolve)
ϵs[pos] = max(ϵs[pos], calc_galerkin(pos, ψ, H, ψ, envs))
ψ.AC[pos] = vec
end
ϵ = maximum(ϵs)
ψ, envs = alg.finalize(iter, ψ, H, envs)::Tuple{typeof(ψ),typeof(envs)}
if ϵ <= alg.tol
@infov 2 logfinish!(log, iter, ϵ, expectation_value(ψ, H, envs))
break
end
if iter == alg.maxiter
@warnv 1 logcancel!(log, iter, ϵ, expectation_value(ψ, H, envs))
else
@infov 3 logiter!(log, iter, ϵ, expectation_value(ψ, H, envs))
end
end
end
return ψ, envs, ϵ
end
"""
$(TYPEDEF)
Two-site DMRG algorithm for finding the dominant eigenvector.
## Fields
$(TYPEDFIELDS)
"""
struct DMRG2{A,S,F} <: Algorithm
"tolerance for convergence criterium"
tol::Float64
"maximal amount of iterations"
maxiter::Int
"setting for how much information is displayed"
verbosity::Int
"algorithm used for the eigenvalue solvers"
alg_eigsolve::A
"algorithm used for the singular value decomposition"
alg_svd::S
"algorithm used for [truncation](@extref TensorKit.tsvd) of the two-site update"
trscheme::TruncationScheme
"callback function applied after each iteration, of signature `finalize(iter, ψ, H, envs) -> ψ, envs`"
finalize::F
end
# TODO: find better default truncation
function DMRG2(; tol=Defaults.tol, maxiter=Defaults.maxiter, verbosity=Defaults.verbosity,
alg_eigsolve=(;), alg_svd=Defaults.alg_svd(), trscheme,
finalize=Defaults._finalize)
alg_eigsolve′ = alg_eigsolve isa NamedTuple ? Defaults.alg_eigsolve(; alg_eigsolve...) :
alg_eigsolve
return DMRG2(tol, maxiter, verbosity, alg_eigsolve′, alg_svd, trscheme, finalize)
end
function find_groundstate!(ψ::AbstractFiniteMPS, H, alg::DMRG2, envs=environments(ψ, H))
ϵs = map(pos -> calc_galerkin(pos, ψ, H, ψ, envs), 1:length(ψ))
ϵ = maximum(ϵs)
log = IterLog("DMRG2")
LoggingExtras.withlevel(; alg.verbosity) do
for iter in 1:(alg.maxiter)
alg_eigsolve = updatetol(alg.alg_eigsolve, iter, ϵ)
zerovector!(ϵs)
# left to right sweep
for pos in 1:(length(ψ) - 1)
@plansor ac2[-1 -2; -3 -4] := ψ.AC[pos][-1 -2; 1] * ψ.AR[pos + 1][1 -4; -3]
Hac2 = AC2_hamiltonian(pos, ψ, H, ψ, envs)
_, newA2center = fixedpoint(Hac2, ac2, :SR, alg_eigsolve)
al, c, ar = tsvd!(newA2center; trunc=alg.trscheme, alg=alg.alg_svd)
normalize!(c)
v = @plansor ac2[1 2; 3 4] * conj(al[1 2; 5]) * conj(c[5; 6]) *
conj(ar[6; 3 4])
ϵs[pos] = max(ϵs[pos], abs(1 - abs(v)))
ψ.AC[pos] = (al, complex(c))
ψ.AC[pos + 1] = (complex(c), _transpose_front(ar))
end
# right to left sweep
for pos in (length(ψ) - 2):-1:1
@plansor ac2[-1 -2; -3 -4] := ψ.AL[pos][-1 -2; 1] * ψ.AC[pos + 1][1 -4; -3]
Hac2 = AC2_hamiltonian(pos, ψ, H, ψ, envs)
_, newA2center = fixedpoint(Hac2, ac2, :SR, alg_eigsolve)
al, c, ar = tsvd!(newA2center; trunc=alg.trscheme, alg=alg.alg_svd)
normalize!(c)
v = @plansor ac2[1 2; 3 4] * conj(al[1 2; 5]) * conj(c[5; 6]) *
conj(ar[6; 3 4])
ϵs[pos] = max(ϵs[pos], abs(1 - abs(v)))
ψ.AC[pos + 1] = (complex(c), _transpose_front(ar))
ψ.AC[pos] = (al, complex(c))
end
ϵ = maximum(ϵs)
ψ, envs = alg.finalize(iter, ψ, H, envs)::Tuple{typeof(ψ),typeof(envs)}
if ϵ <= alg.tol
@infov 2 logfinish!(log, iter, ϵ, expectation_value(ψ, H, envs))
break
end
if iter == alg.maxiter
@warnv 1 logcancel!(log, iter, ϵ, expectation_value(ψ, H, envs))
else
@infov 3 logiter!(log, iter, ϵ, expectation_value(ψ, H, envs))
end
end
end
return ψ, envs, ϵ
end
function find_groundstate(ψ, H, alg::Union{DMRG,DMRG2}, envs...; kwargs...)
return find_groundstate!(copy(ψ), H, alg, envs...; kwargs...)
end