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DMRG_MEASURE.f90
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DMRG_MEASURE.f90
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MODULE DMRG_MEASURE
USE SCIFOR, only: to_lower
USE VARS_GLOBAL
USE DMRG_CONNECT
USE DMRG_SUPERBLOCK_COMMON
implicit none
private
!Measuring:
public :: Init_Measure_DMRG
public :: End_measure_DMRG
public :: Measure_Op_DMRG
public :: Build_Op_DMRG
public :: Advance_Op_DMRG
public :: Advance_Corr_DMRG
public :: Average_Op_DMRG
public :: Write_DMRG
interface Write_DMRG
module procedure :: write_user_scalar
module procedure :: write_user_array
end interface Write_DMRG
integer :: Nsb
real(8),dimension(:),allocatable :: qn,qm
real(8),dimension(:),allocatable :: dq
type(sparse_matrix),allocatable,dimension(:) :: Olist
type(tstates),dimension(:),allocatable :: Li,Ri
logical :: measure_status=.false.
contains
!##################################################################
! INIT / END MEASUREMENT: allocate/deallocate
!##################################################################
subroutine Init_Measure_dmrg
if(measure_status)call End_Measure_DMRG()
Nsb = size(sb_sector)
allocate(Dls(Nsb),Drs(Nsb),Offset(Nsb))
allocate(LI(Nsb),RI(Nsb))
Offset=0
do isb=1,Nsb
qn = sb_sector%qn(index=isb)
Dls(isb)= sector_qn_dim(left%sectors(1),qn)
Drs(isb)= sector_qn_dim(right%sectors(1),current_target_qn - qn)
if(isb>1)Offset(isb)=Offset(isb-1)+Dls(isb-1)*Drs(isb-1)
LI(isb)%states = sb2block_states(qn,'left')
RI(isb)%states = sb2block_states(qn,'right')
enddo
measure_status=.true.
end subroutine Init_Measure_dmrg
subroutine End_measure_DMRG
if(allocated(Dls))deallocate(Dls)
if(allocated(Drs))deallocate(Drs)
if(allocated(Offset))deallocate(Offset)
if(allocated(Olist))deallocate(Olist)
if(allocated(Li))deallocate(Li)
if(allocated(Ri))deallocate(Ri)
measure_status=.false.
end subroutine End_measure_DMRG
!##################################################################
! MEASURE LOCAL OPERATOR
!##################################################################
subroutine Measure_Op_dmrg(Op,pos,file,avOp)
type(sparse_matrix),intent(in) :: Op
integer,dimension(:),optional :: pos
character(len=*),optional :: file
real(8),dimension(:),allocatable,optional :: avOp
real(8),dimension(:),allocatable :: vals
integer,dimension(:),allocatable :: pos_
character(len=1) :: label
character(len=128) :: file_
integer :: i,ipos,L,R,N,Np
type(sparse_matrix) :: Oi
integer :: it,j,dims(2)
type(sparse_matrix) :: U,Ok,I_R,I_L
real(8) :: val
!
suffix=label_DMRG('u')
!
!
L = left%length !the len of the last block used to create the SB->\psi
R = right%length
N = L+R
! print*,"Measure L,R,N:",L,R,N
!
Np = N;if(present(pos))Np= size(pos)
!
allocate(vals(Np))
allocate(pos_(Np))
pos_=arange(1,Np);if(present(pos))pos_=pos
!
call start_timer()
call Init_measure_dmrg()
do i=1,Np
ipos = pos_(i)
j = ipos
! !>TO BE REMOVED:
! if(j<=L)J = N+1-j
! !<-------------
oi = Build_Op_dmrg(Op,j)
Oi = Advance_Op_dmrg(Oi,j)
vals(i)= Average_Op_dmrg(Oi,j)
write(LOGfile,*)ipos,vals(i),abs(vals(i)-0.5d0)
enddo
call End_measure_dmrg()
call stop_timer("Done "//str(file))
!
if(present(file))call Write_DMRG(trim(file),vals,pos_)
!
if(present(avOp))then
if(allocated(avOp))deallocate(avOp)
allocate(avOp(Np))
avOp = vals
endif
call Oi%free()
! U = right%omatrices%op(index=R-1)
! dims=shape(U)
! I_R = Id(dot%dim*dims(2))
! U = left%omatrices%op(index=L-1)
! dims=shape(U)
! I_L = Id(dims(2)*dot%dim)!(matmul(U%t(),U)).x.Id(dot%dim)
! print*,""
! print*,"pos=1"
! print*,""
! print*,"Method <psi|O.x.I_R|psi>"
! print*,shape(I_R)
! ipos=1
! Oi = Build_Op_Dmrg(Op,ipos)
! do it=1,L-1
! U = left%omatrices%op(index=it)
! Oi = (matmul(matmul(U%t(),Oi),U)).x.Id(dot%dim)
! enddo
! Oi = sp_kron(Oi,I_R,sb_states)
! print*,shape(Oi)
! val = dot_product(gs_vector(:,1),Oi%dot(gs_vector(:,1)))
! print*,ipos,val
! print*,""
! print*,"ipos=N"
! print*,""
! print*,"Method <psi|I_L.x.O|psi>"
! ipos=N
! print*,shape(I_L)
! Oi = Build_Op_Dmrg(Op,ipos)
! do it=1,R-1
! U = right%omatrices%op(index=it)
! Oi = Id(dot%dim).x.(matmul(matmul(U%t(),Oi),U))
! enddo
! Oi = sp_kron(I_L,Oi,sb_states)
! print*,shape(Oi)
! val = dot_product(gs_vector(:,1),OI%dot(gs_vector(:,1)))
! print*,ipos,val
end subroutine Measure_Op_dmrg
!##################################################################
! BUILD LOCAL OPERATOR
!Purpose: return the O(i) at a site I of the chain given an
! operator O in the local dot basis:
!##################################################################
! U = left%omatrices%op(index=i-1)
! Oi = matmul(U%dgr(),U).x.Op
! U = right%omatrices%op(index=i-1)
! Oi = Op.x.matmul(U%dgr(),U)
function Build_Op_dmrg(Op,pos,set_basis) result(Oi)
type(sparse_matrix),intent(in) :: Op
integer :: pos
type(sparse_matrix) :: Oi
logical,optional :: set_basis
!
character(len=1) :: label
type(sparse_matrix) :: U
integer :: L,R,N
integer :: i,dB(2),d
logical :: set_basis_
!
set_basis_ = .false. ;if(present(set_basis))set_basis_=set_basis
!
!The lenght of the last block contributing to the SB construction-> \psi
L = left%length
R = right%length
N = L+R
!
!Check:
if(pos<1.OR.pos>N)stop "Build_op_dmrg error: Pos not in [1,Ldmrg]"
!
!Get label of the block holding the site at position pos:
label='l'; if(pos>L)label='r'
!
!Get index in the block from the position pos in the chain:
i=pos ; if(pos>L)i=N+1-pos
!
!Build Operator on the chain at position pos:
if(i==1)then
Oi = Op
else
select case(label)
case('l')
dB = shape(left%omatrices%op(index=i-1));D=dB(2)
Oi = Id(d).x.Op
if(set_basis_)then
U = left%omatrices%op(index=i)
Oi = matmul(U%dgr(),matmul(Oi,U))
call U%free()
endif
case('r')
dB = shape(right%omatrices%op(index=i-1));D=dB(2)
Oi = Op.x.Id(d)
if(set_basis_)then
U = right%omatrices%op(index=i)
Oi = matmul(U%dgr(),matmul(Oi,U))
call U%free()
endif
end select
endif
end function Build_Op_dmrg
!##################################################################
! ADVANCE OPERATOR
!Purpose: advance the operator O(i) Nstep from site I
!##################################################################
function Advance_Op_dmrg(Op,pos,nstep) result(Oi)
type(sparse_matrix),intent(in) :: Op
integer :: pos
integer,optional :: nstep
type(sparse_matrix) :: Oi,U
character(len=1) :: label
integer :: L,R,N
integer :: i,istart,iend,it
!
!The lenght of the last block contributing to the SB construction-> \psi
L = left%length
R = right%length
N = L+R
!
!Check:
if(pos<1.OR.pos>N)stop "Advance_op_dmrg error: Pos not in [1,Ldmrg]"
!
!Get label of the block holding the site at position pos:
label='l'; if(pos>L)label='r'
!
!Get index in the block from the position pos in the chain:
i=pos ; if(pos>L)i=N+1-pos
!
istart = i
select case(label)
case ("l")
istart = i ; iend = L ; if(present(nstep))iend=istart+nstep
if(iend>L)stop "Advance_Op_DMRG ERROR: iend > L"
case ("r")
istart = i ; iend = R ; if(present(nstep))iend=istart+nstep
if(iend>R)stop "Advance_Op_DMRG ERROR: iend > R"
end select
!
! print*,istart,iend
!
Oi = Op
!Evolve to SB basis
do it=istart,iend-1
select case(label)
case ("l")
U = left%omatrices%op(index=it)
Oi = matmul(matmul(U%dgr(),Oi),U)
Oi = Oi.x.Id(dot%dim)
case ("r")
U = right%omatrices%op(index=it)
Oi = matmul(matmul(U%dgr(),Oi),U)
Oi = Id(dot%dim).x.Oi
end select
enddo
call U%free()
end function Advance_Op_dmrg
!##################################################################
! AVERAGE OPERATOR
!Purpose: take the average of an operator O on the last step basis
!##################################################################
function Average_Op_dmrg(Oi,pos) result(Oval)
type(sparse_matrix),intent(in) :: Oi
integer :: pos
character(len=1) :: label
real(8) :: Oval
type(sparse_matrix) :: Psi
integer :: L,R,N
!
!The lenght of the last block contributing to the SB construction-> \psi
L = left%length
R = right%length
N = L+R
!
!Check:
if(pos<1.OR.pos>N)stop "Average_op_dmrg error: Pos not in [1,Ldmrg]"
!
!Get label of the block holding the site at position pos:
label='l'; if(pos>L)label='r'
!
allocate(Olist(Nsb))
!
!Measure using PSI matrix:
do isb=1,Nsb
select case(label)
case default;stop "Average_op_dmrg error: label not [l,r]"
case ("l");Olist(isb) = sp_filter(Oi,LI(isb)%states)
case ("r");Olist(isb) = sp_filter(Oi,RI(isb)%states)
end select
enddo
!
Oval = dot_product(gs_vector(:,1), OdotV_direct(Olist,gs_vector(:,1),label))
!
do isb=1,Nsb
call Olist(isb)%free()
enddo
deallocate(Olist)
!
end function Average_Op_dmrg
!#################################
!#################################
function OdotV_direct(Op,v,direction) result(Ov)
integer :: Nsb,Nloc
type(sparse_matrix),dimension(:) :: Op
real(8),dimension(:) :: v
character(len=*) :: direction
real(8),dimension(size(v)) :: Ov
real(8) :: val
integer :: i,j,k,n
integer :: ir,il,jr,jl,it
integer :: ia,ib,ic,ja,jb,jc,jcol
real(8) :: aval,bval
!
Ov=zero
!> loop over all the SB sectors:
select case(to_lower(direction))
case("l","left","sys","s")
do k=1,size(sb_sector)
!> apply the H^L x 1^r: need to T v and Ov
do ir=1,Drs(k)
do il=1,Dls(k)
i = ir + (il-1)*Drs(k) + offset(k)
do jcol=1,Op(k)%row(il)%Size
val = Op(k)%row(il)%vals(jcol)
jl = Op(k)%row(il)%cols(jcol)
j = ir + (jl-1)*Drs(k) + offset(k)
Ov(i) = Ov(i) + val*v(j)
end do
enddo
enddo
enddo
case("r","right","env","e")
do k=1,size(sb_sector)
!> apply the 1^L x H^r
do il=1,Drs(k)
do ir=1,Dls(k)
i = il + (ir-1)*Drs(k) + offset(k)
do jcol=1,Op(k)%row(il)%Size
val = Op(k)%row(il)%vals(jcol)
jl = Op(k)%row(il)%cols(jcol)
j = jl + (ir-1)*Drs(k) + offset(k)
Ov(i) = Ov(i) + val*v(j)
end do
enddo
enddo
enddo
end select
!
end function OdotV_direct
!##################################################################
! ADVANCE CORRELATION FUNCTION
!Purpose: advance the correlation O(i) Nstep from site I
!##################################################################
function Advance_Corr_dmrg(Op,pos,nstep) result(Oi)
type(sparse_matrix),intent(in) :: Op
integer :: pos
integer,optional :: nstep
type(sparse_matrix) :: Oi,U
character(len=1) :: label
integer :: L,R,N
integer :: i,istart,iend,it
!
!The lenght of the last block contributing to the SB construction-> \psi
L = left%length !
R = right%length !
N = L+R !== Ldmrg
!
!Check:
if(pos<1.OR.pos>N)stop "Advance_op_dmrg error: Pos not in [1,Ldmrg]"
!
!Get label of the block holding the site at position pos:
label='l'; if(pos>L)label='r'
!
!Get index in the block from the position pos in the chain:
i=pos ; if(pos>L)i=N+1-pos
!
istart = i
select case(label)
case ("l")
istart = i ; iend = L ; if(present(nstep))iend=istart+nstep
if(iend>L)stop "Advance_Op_DMRG ERROR: iend > L"
case ("r")
istart = i ; iend = R ; if(present(nstep))iend=istart+nstep
if(iend>R)stop "Advance_Op_DMRG ERROR: iend > R"
end select
!
!
Oi = Op
select case(label)
case ("l")
do it=istart+1,iend
U = left%omatrices%op(index=it)
Oi = matmul(matmul(U%dgr(),Oi),U)
Oi = Oi.x.Id(dot%dim)
enddo
case ("r")
do it=istart+1,iend
U = right%omatrices%op(index=it)
Oi = matmul(matmul(U%dgr(),Oi),U)
Oi = Id(dot%dim).x.Oi
enddo
end select
call U%free()
end function Advance_Corr_dmrg
!#################################
!#################################
subroutine write_user_scalar(file,val,x)
character(len=*) :: file
real(8) :: val
integer,optional :: x
integer :: x_
integer :: i,Eunit
x_ = left%length;if(present(x))x_=x
Eunit = fopen(str(file)//"_"//str(suffix),append=.true.)
write(Eunit,*)x_,val
close(Eunit)
end subroutine write_user_scalar
subroutine write_user_array(file,vals,x)
character(len=*) :: file
real(8) :: vals(:)
integer,optional :: x(size(vals))
integer :: x_(size(vals))
integer :: i,Eunit
x_=arange(1,size(vals));if(present(x))x_=x
Eunit = fopen(str(file)//"_"//str(suffix),append=.true.)
do i=1,size(vals)
write(Eunit,*)x_(i),vals(i)
enddo
close(Eunit)
end subroutine write_user_array
END MODULE DMRG_MEASURE
!##################################################################
! AVERAGE OPERATOR
!Purpose: take the average of an operator O on the last step basis
!##################################################################
! function Average_Op_dmrg(Oi,pos) result(Oval)
! type(sparse_matrix),intent(in) :: Oi
! integer :: pos
! character(len=1) :: label
! real(8) :: Oval
! type(sparse_matrix) :: Psi
! integer :: L,R,N
! !
! !The lenght of the last block contributing to the SB construction-> \psi
! L = left%length-1
! R = right%length-1
! N = L+R
! !
! !Check:
! if(pos<1.OR.pos>N)stop "Average_op_dmrg error: Pos not in [1,Ldmrg]"
! !
! !Get label of the block holding the site at position pos:
! label='l'; if(pos>L)label='r'
! !
! !Measure using PSI matrix:
! select case(label)
! case ("l")
! if(any(shape(psi_left)/=shape(Oi)))stop "average_op_dmrg ERROR: shape(psi_left) != shape(Oi)"
! Psi = as_sparse(psi_left)
! Oval = trace(as_matrix(matmul(matmul(Psi%dgr(),Oi),Psi)))
! case ("r")
! if(any(shape(psi_right)/=shape(Oi)))stop "average_op_dmrg ERROR: shape(psi_right) != shape(Oi)"
! Psi = as_sparse(psi_right)
! Oval = trace(as_matrix(matmul(matmul(Psi%dgr(),Oi),Psi)))
! end select
! call Psi%free()
! end function Average_Op_dmrg
! subroutine Measure_Op_dmrg(Op,file,ref,avOp)
! type(sparse_matrix),intent(in) :: Op
! character(len=*) :: file
! character(len=1) :: label
! real(8) :: ref
! real(8),dimension(:),allocatable,optional :: avOp
! real(8) :: val
! integer :: it,i,L,R,N,j,pos,dims(2)
! type(sparse_matrix) :: Oi,U,Psi,Ok,I_R,I_L
! !
! suffix=label_DMRG('u')
! !
! L = left%length-1 !the len of the last block used to create the SB->\psi
! R = right%length-1
! N = L+R
! !
! if(present(avOp))then
! if(allocated(avOp))deallocate(avOp)
! allocate(avOp(N))
! endif
! !
! call start_timer()
! do pos=1,N
! Oi = Build_Op_dmrg(Op,pos)
! Oi = Advance_Op_dmrg(Oi,pos)
! val= Average_Op_dmrg(Oi,pos)
! if(present(avOp))avOp(pos)=val
! call write_user_scalar(trim(file),val,x=pos)
! call Oi%free()
! call progress(pos,N)
! enddo
! call stop_timer("Done "//str(file))
! U = right%omatrices%op(index=R)
! dims=shape(U)
! ! I_R = Id(dot%dim).x.Id(dims(2))!(matmul(U%t(),U))
! I_R = Id(dot%dim*dims(2))
! U = left%omatrices%op(index=R)
! dims=shape(U)
! ! I_L = Id(dims(2)).x.Id(dot%dim)!(matmul(U%t(),U)).x.Id(dot%dim)
! I_L = Id(dims(2)*dot%dim)!(matmul(U%t(),U)).x.Id(dot%dim)
! print*,"size(GSpsi)",size(gs_vector(:,1))
! print*,""
! print*,"- - - - - - - - - - - - - - - - -"
! print*," METHOD 1: O.x.I - I.x.O full"
! print*,"- - - - - - - - - - - - - - - - -"
! print*,""
! print*,""
! print*,"pos=1"
! print*,""
! print*,"Method <psi|O.x.I_R|psi>"
! print*,shape(I_R)
! pos=1
! Oi = Build_Op_Dmrg(Op,pos)
! do it=1,L
! U = left%omatrices%op(index=it)
! Oi = (matmul(matmul(U%t(),Oi),U)).x.Id(dot%dim)
! enddo
! Oi = sp_kron(Oi,I_R,sb_states)
! print*,shape(Oi)
! val = dot_product(gs_vector(:,1),Oi%dot(gs_vector(:,1)))
! print*,pos,val
! print*,""
! print*,"pos=N"
! print*,""
! print*,"Method <psi|I_L.x.O|psi>"
! pos=N
! print*,shape(I_L)
! Oi = Build_Op_Dmrg(Op,pos)
! do it=1,R
! U = right%omatrices%op(index=it)
! Oi = Id(dot%dim).x.(matmul(matmul(U%t(),Oi),U))
! enddo
! Oi = sp_kron(I_L,Oi,sb_states)
! print*,shape(Oi)
! val = dot_product(gs_vector(:,1),OI%dot(gs_vector(:,1)))
! print*,pos,val
! print*,""
! print*,"- - - - - - - - - - - - - - - - -"
! print*," METHOD 3: direct O_L, O_R"
! print*,"- - - - - - - - - - - - - - - - -"
! print*,""
! Nsb = size(sb_sector)
! allocate(Dls(Nsb),Drs(Nsb),Offset(Nsb),Oleft(Nsb),Oright(Nsb))
! allocate(LI(Nsb),RI(Nsb))
! Offset=0
! do isb=1,Nsb
! qn = sb_sector%qn(index=isb)
! Dls(isb)= sector_qn_dim(left%sectors(1),qn)
! Drs(isb)= sector_qn_dim(right%sectors(1),current_target_qn - qn)
! if(isb>1)Offset(isb)=Offset(isb-1)+Dls(isb-1)*Drs(isb-1)
! LI(isb)%states = sb2block_states(qn,'left')
! RI(isb)%states = sb2block_states(qn,'right')
! enddo
! pos=1
! Oi = Build_Op_Dmrg(Op,pos)
! do it=1,L
! U = left%omatrices%op(index=it)
! Oi = (matmul(matmul(U%t(),Oi),U)).x.Id(dot%dim)
! enddo
! do isb=1,Nsb
! !> get: Oi*^L
! Oleft(isb) = sp_filter(Oi,LI(isb)%states)
! enddo
! val = dot_product(gs_vector(:,1), OdotV_direct(Oleft,gs_vector(:,1),'left'))
! print*,pos,val
! pos=N
! Oi = Build_Op_Dmrg(Op,pos)
! do it=1,R
! U = right%omatrices%op(index=it)
! Oi = Id(dot%dim).x.(matmul(matmul(U%t(),Oi),U))
! enddo
! do isb=1,Nsb
! !> get: Oi*^R
! Oright(isb) = sp_filter(Oi,RI(isb)%states)
! enddo
! val = dot_product(gs_vector(:,1), OdotV_direct(Oright,gs_vector(:,1),'right'))
! print*,pos,val
! if(allocated(Dls))deallocate(Dls)
! if(allocated(Drs))deallocate(Drs)
! if(allocated(Offset))deallocate(Offset)
! if(allocated(Oleft))deallocate(Oleft)
! if(allocated(Oright))deallocate(Oright)
! if(allocated(Li))deallocate(Li)
! if(allocated(Ri))deallocate(Ri)
! contains
! function OdotV_direct(Op,v,direction) result(Ov)
! integer :: Nsb,Nloc
! type(sparse_matrix),dimension(:) :: Op
! real(8),dimension(:) :: v
! character(len=*) :: direction
! real(8),dimension(size(v)) :: Ov
! real(8) :: val
! integer :: i,j,k,n
! integer :: ir,il,jr,jl,it
! integer :: ia,ib,ic,ja,jb,jc,jcol
! real(8) :: aval,bval
! !
! Ov=zero
! !> loop over all the SB sectors:
! select case(to_lower(direction))
! case("l","left","sys","s")
! do k=1,size(sb_sector)
! !> apply the H^L x 1^r: need to T v and Ov
! do ir=1,Drs(k)
! do il=1,Dls(k)
! i = ir + (il-1)*Drs(k) + offset(k)
! do jcol=1,Op(k)%row(il)%Size
! val = Op(k)%row(il)%vals(jcol)
! jl = Op(k)%row(il)%cols(jcol)
! j = ir + (jl-1)*Drs(k) + offset(k)
! Ov(i) = Ov(i) + val*v(j)
! end do
! enddo
! enddo
! enddo
! case("r","right","env","e")
! do k=1,size(sb_sector)
! !> apply the 1^L x H^r
! do il=1,Drs(k)
! do ir=1,Dls(k)
! i = il + (ir-1)*Drs(k) + offset(k)
! do jcol=1,Op(k)%row(il)%Size
! val = Op(k)%row(il)%vals(jcol)
! jl = Op(k)%row(il)%cols(jcol)
! j = jl + (ir-1)*Drs(k) + offset(k)
! Ov(i) = Ov(i) + val*v(j)
! end do
! enddo
! enddo
! enddo
! end select
! !
! end function OdotV_direct
! end subroutine Measure_Op_dmrg