mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-08-24 21:21:47 +02:00
Fixed bugs in p q excitations.
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parent
6b1c85bec0
commit
f79ee5faa8
@ -671,11 +671,21 @@ use bitmasks
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Jdomo(jint) = IBSET(Jdomo(jint),jpos)
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endif
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do ii=1, N_int
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Jcfg(i,1) = Jsomo(i)
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Jcfg(i,2) = Jdomo(i)
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enddo
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call bitstring_to_list(Jcfg,listall,nelall,N_int)
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Nsomo_J = nelall
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! Check for Minimal alpha electrons (MS)
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if(Nsomo_J.lt.MS)then
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if(vmotype(j) == 1)then
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Jsomo(jint) = IBCLR(Jsomo(jint),jpos)
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else if(vmotype(j) == 2)then
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Jdomo(jint) = IBCLR(Jdomo(jint),jpos)
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endif
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cycle
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endif
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@ -715,12 +725,19 @@ use bitmasks
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endif
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end do
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if(pqAlreadyGenQ) cycle
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if(pqAlreadyGenQ) then
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if(vmotype(j) == 1)then
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Jsomo(jint) = IBCLR(Jsomo(jint),jpos)
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else if(vmotype(j) == 2)then
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Jdomo(jint) = IBCLR(Jdomo(jint),jpos)
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endif
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cycle
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endif
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pqExistsQ = .FALSE.
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if(.NOT. pqExistsQ) then
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tableUniqueAlphas(p,q) = .TRUE.
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tableUniqueAlphas(pp,qq) = .TRUE.
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endif
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@ -740,10 +757,13 @@ use bitmasks
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!print *,tableUniqueAlphas(:,:)
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! prune list of alphas
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Isomo = Icfg(1,1)
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Idomo = Icfg(1,2)
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Jsomo = Icfg(1,1)
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Jdomo = Icfg(1,2)
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do i=1, N_int
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Isomo(i) = iand(act_bitmask(i,1),psi_configuration(i,1,idxI))
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Idomo(i) = iand(act_bitmask(i,1),psi_configuration(i,2,idxI))
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Jsomo(i) = Isomo(i)
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Jdomo(i) = Idomo(i)
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enddo
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NalphaIcfg = 0
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do i = 1, nholes
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pp = listholes(i)
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@ -753,6 +773,7 @@ use bitmasks
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Jsomo(iint) = IBCLR(Jsomo(iint),ipos)
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else if(holetype(i) == 2)then
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Jdomo(iint) = IBCLR(Jdomo(iint),ipos)
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Jsomo(iint) = IBSET(Jsomo(iint),ipos)
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endif
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do j = 1, nvmos
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@ -763,14 +784,28 @@ use bitmasks
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Jsomo(jint) = IBSET(Jsomo(jint),jpos)
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else if(vmotype(j) == 2)then
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Jdomo(jint) = IBSET(Jdomo(jint),jpos)
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Jsomo(jint) = IBCLR(Jsomo(jint),jpos)
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endif
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if(pp .EQ. qq) then
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if(vmotype(j) == 1)then
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Jsomo(jint) = IBCLR(Jsomo(jint),jpos)
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else if(vmotype(j) == 2)then
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Jdomo(jint) = IBCLR(Jdomo(jint),jpos)
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endif
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cycle
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endif
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if(pp .EQ. qq) cycle
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if(tableUniqueAlphas(pp,qq)) then
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do ii=1, N_int
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Jcfg(i,1) = Jsomo(i)
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Jcfg(i,2) = Jdomo(i)
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enddo
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call bitstring_to_list(Jcfg,listall,nelall,N_int)
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Nsomo_J = nelall
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if(Nsomo_J .ge. NSOMOMin) then
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!print *," Idx = ",idxI, "p = ",pp, " q = ",qq," Jsomo=",Jsomo(1), " Jdomo=",IOR(Jdomo(1),ISHFT(1_8,n_core_orb)-1)
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NalphaIcfg += 1
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alphasIcfg_list(:,1,idxI,NalphaIcfg) = Jcfg(:,1)
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if(n_core_orb .le. 63)then
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@ -794,12 +829,14 @@ use bitmasks
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Jsomo(jint) = IBCLR(Jsomo(jint),jpos)
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else if(vmotype(j) == 2)then
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Jdomo(jint) = IBCLR(Jdomo(jint),jpos)
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Jsomo(jint) = IBSET(Jsomo(jint),jpos)
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endif
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end do
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if(holetype(i) == 1)then
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Jsomo(iint) = IBSET(Jsomo(iint),ipos)
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else if(holetype(i) == 2)then
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Jdomo(iint) = IBSET(Jdomo(iint),ipos)
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Jsomo(iint) = IBCLR(Jsomo(iint),ipos)
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endif
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end do
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@ -863,6 +900,7 @@ END_PROVIDER
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integer,intent(in) :: idxI ! The id of the Ith CFG
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integer(bit_kind),intent(in) :: Icfg(N_int,2)
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integer(bit_kind) :: Jcfg(N_int,2)
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integer,intent(out) :: NalphaIcfg
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integer(bit_kind),intent(out) :: alphasIcfg(N_int,2,*)
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logical,dimension(:,:),allocatable :: tableUniqueAlphas
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@ -872,74 +910,84 @@ END_PROVIDER
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integer :: nvmos
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integer :: listvmos(mo_num)
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integer :: vmotype(mo_num) ! 1 -> VMO 2 -> SOMO
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integer*8 :: Idomo
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integer*8 :: Isomo
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integer*8 :: Jdomo
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integer*8 :: Jsomo
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integer*8 :: diffSOMO
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integer*8 :: diffDOMO
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integer*8 :: xordiffSOMODOMO
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integer(bit_kind) :: Idomo(N_int), Idomop(N_int), Idomoq(N_int)
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integer(bit_kind) :: Isomo(N_int), Isomop(N_int), Isomoq(N_int)
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integer(bit_kind) :: Jdomo(N_int), Jdomop(N_int), Jdomoq(N_int)
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integer(bit_kind) :: Jsomo(N_int), Jsomop(N_int), Jsomoq(N_int)
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integer(bit_kind) :: diffDOMO(N_int), xordiffSOMODOMO(N_int), diffSOMO(N_int)
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integer :: ndiffSOMO
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integer :: ndiffDOMO
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integer :: nxordiffSOMODOMO
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integer :: ndiffAll
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integer :: i, ii
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integer :: j, jj
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integer :: iii, iint, jint, ipos, jpos
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integer :: i_s, i_d
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integer :: k, kk
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integer :: kstart
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integer :: kend
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integer :: Nsomo_I
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integer :: hole
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integer :: p
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integer :: q
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integer :: Nsomo_I, Nsomo_J
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integer :: hole, n_core_orb_64
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integer :: p, pp, p_s
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integer :: q, qq, q_s
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integer :: countalphas
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logical :: pqAlreadyGenQ
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logical :: pqExistsQ
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logical :: ppExistsQ
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Isomo = iand(act_bitmask(1,1),Icfg(1,1))
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Idomo = iand(act_bitmask(1,1),Icfg(1,2))
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integer :: listall(N_int*bit_kind_size), nelall
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do i=1, N_int
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Isomo(i) = iand(act_bitmask(i,1),Icfg(i,1))
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Idomo(i) = iand(act_bitmask(i,1),Icfg(i,2))
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enddo
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!print*,"Input cfg"
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!call debug_spindet(Isomo,1)
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!call debug_spindet(Idomo,1)
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! find out all pq holes possible
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nholes = 0
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! holes in SOMO
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do ii = 1,n_act_orb
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i = list_act(ii)
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if(POPCNT(IAND(Isomo,IBSET(0_8,i-1))) .EQ. 1) then
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nholes += 1
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listholes(nholes) = i
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holetype(nholes) = 1
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endif
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end do
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! holes in DOMO
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do ii = 1,n_act_orb
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i = list_act(ii)
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if(POPCNT(IAND(Idomo,IBSET(0_8,i-1))) .EQ. 1) then
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nholes += 1
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listholes(nholes) = i
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holetype(nholes) = 2
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endif
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end do
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nholes = 0
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call bitstring_to_list(Isomo,listall,nelall,N_int)
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do iii=1,nelall
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nholes += 1
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listholes(nholes) = listall(iii)
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holetype(nholes) = 1
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end do
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Nsomo_I = nelall
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call bitstring_to_list(Idomo,listall,nelall,N_int)
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do iii=1,nelall
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if(listall(iii) .gt. n_core_orb)then
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nholes += 1
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listholes(nholes) = listall(iii)
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holetype(nholes) = 2
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endif
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end do
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! find vmos
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listvmos = -1
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vmotype = -1
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nvmos = 0
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do ii = 1,n_act_orb
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i = list_act(ii)
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!print *,i,IBSET(0,i-1),POPCNT(IAND(Isomo,(IBSET(0_8,i-1)))), POPCNT(IAND(Idomo,(IBSET(0_8,i-1))))
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if(POPCNT(IAND(Isomo,(IBSET(0_8,i-1)))) .EQ. 0 .AND. POPCNT(IAND(Idomo,(IBSET(0_8,i-1)))) .EQ. 0) then
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nvmos += 1
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listvmos(nvmos) = i
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vmotype(nvmos) = 1
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else if(POPCNT(IAND(Isomo,(IBSET(0_8,i-1)))) .EQ. 1 .AND. POPCNT(IAND(Idomo,(IBSET(0_8,i-1)))) .EQ. 0 ) then
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nvmos += 1
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listvmos(nvmos) = i
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vmotype(nvmos) = 2
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end if
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end do
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! Take into account N_int
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do ii = 1, n_act_orb
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iii = list_act(ii)
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iint = shiftr(iii-1,bit_kind_shift) + 1
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ipos = iii-shiftl((iint-1),bit_kind_shift)-1
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if(IAND(Idomo(iint),(IBSET(0_8,ipos))) .EQ. 0) then
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if(IAND(Isomo(iint),(IBSET(0_8,ipos))) .EQ. 0) then
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nvmos += 1
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listvmos(nvmos) = iii
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vmotype(nvmos) = 1
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else if(POPCNT(IAND(Isomo(iint),(IBSET(0_8,ipos)))) .EQ. 1) then
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nvmos += 1
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listvmos(nvmos) = iii
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vmotype(nvmos) = 2
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end if
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end if
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end do
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!print *,"Nvmo=",nvmos
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!print *,listvmos
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@ -948,10 +996,15 @@ END_PROVIDER
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allocate(tableUniqueAlphas(mo_num,mo_num))
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tableUniqueAlphas = .FALSE.
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! Now find the allowed (p,q) excitations
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do i=1, N_int
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Isomo(i) = iand(act_bitmask(i,1),Icfg(i,1))
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Idomo(i) = iand(act_bitmask(i,1),Icfg(i,2))
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Jsomo(i) = Isomo(i)
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Jdomo(i) = Idomo(i)
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enddo
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! Now find the allowed (p,q) excitations
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Isomo = iand(act_bitmask(1,1),Icfg(1,1))
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Idomo = iand(act_bitmask(1,1),Icfg(1,2))
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Nsomo_I = POPCNT(Isomo)
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if(Nsomo_I .EQ. 0) then
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kstart = 1
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else
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@ -971,41 +1024,40 @@ END_PROVIDER
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!enddo
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do i = 1,nholes
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p = listholes(i)
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pp = listholes(i)
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iint = shiftr(pp-1,bit_kind_shift) + 1
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ipos = pp-shiftl((iint-1),bit_kind_shift)-1
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if(holetype(i) == 1)then
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Jsomo(iint) = IBCLR(Jsomo(iint),ipos)
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else if(holetype(i) == 2)then
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Jdomo(iint) = IBCLR(Jdomo(iint),ipos)
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endif
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do j = 1,nvmos
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q = listvmos(j)
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if(p .EQ. q) cycle
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if(holetype(i) .EQ. 1 .AND. vmotype(j) .EQ. 1) then
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! SOMO -> VMO
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Jsomo = IBCLR(Isomo,p-1)
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Jsomo = IBSET(Jsomo,q-1)
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Jdomo = Idomo
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kstart = max(1,cfg_seniority_index(max(NSOMOMin,Nsomo_I-2)))
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kend = idxI-1
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else if(holetype(i) .EQ. 1 .AND. vmotype(j) .EQ. 2) then
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! SOMO -> SOMO
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Jsomo = IBCLR(Isomo,p-1)
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Jsomo = IBCLR(Jsomo,q-1)
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Jdomo = IBSET(Idomo,q-1)
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kstart = max(1,cfg_seniority_index(max(NSOMOMin,Nsomo_I-4)))
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kend = idxI-1
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else if(holetype(i) .EQ. 2 .AND. vmotype(j) .EQ. 1) then
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! DOMO -> VMO
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Jsomo = IBSET(Isomo,p-1)
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Jsomo = IBSET(Jsomo,q-1)
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Jdomo = IBCLR(Idomo,p-1)
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kstart = cfg_seniority_index(Nsomo_I)
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kend = idxI-1
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else if(holetype(i) .EQ. 2 .AND. vmotype(j) .EQ. 2) then
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! DOMO -> SOMO
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Jsomo = IBSET(Isomo,p-1)
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Jsomo = IBCLR(Jsomo,q-1)
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Jdomo = IBCLR(Idomo,p-1)
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Jdomo = IBSET(Jdomo,q-1)
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kstart = max(1,cfg_seniority_index(max(NSOMOMin,Nsomo_I-2)))
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kend = idxI-1
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else
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print*,"Something went wrong in obtain_associated_alphaI"
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qq = listvmos(j)
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jint = shiftr(qq-1,bit_kind_shift) + 1
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jpos = qq-shiftl((iint-1),bit_kind_shift)-1
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if(vmotype(j) == 1)then
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Jsomo(jint) = IBSET(Jsomo(jint),jpos)
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else if(vmotype(j) == 2)then
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Jdomo(jint) = IBSET(Jdomo(jint),jpos)
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endif
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do ii=1, N_int
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Jcfg(i,1) = Jsomo(i)
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Jcfg(i,2) = Jdomo(i)
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enddo
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call bitstring_to_list(Jcfg,listall,nelall,N_int)
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Nsomo_J = nelall
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if(pp .EQ. qq) then
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if(vmotype(j) == 1)then
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Jsomo(jint) = IBCLR(Jsomo(jint),jpos)
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else if(vmotype(j) == 2)then
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Jdomo(jint) = IBCLR(Jdomo(jint),jpos)
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endif
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cycle
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endif
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! Again, we don't have to search from 1
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@ -1016,14 +1068,21 @@ END_PROVIDER
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pqAlreadyGenQ = .FALSE.
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! First check if it can be generated before
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do k = kstart, kend
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diffSOMO = IEOR(Jsomo,iand(act_bitmask(1,1),psi_configuration(1,1,k)))
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ndiffSOMO = POPCNT(diffSOMO)
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ndiffSOMO = 0
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ndiffDOMO = 0
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nxordiffSOMODOMO = 0
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do ii = 1, N_int
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Jsomo = Jcfg(ii,1)
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Jdomo = Jcfg(ii,2)
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diffSOMO = IEOR(Jsomo,iand(reunion_of_act_virt_bitmask(ii,1),psi_configuration(ii,1,k)))
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ndiffSOMO += POPCNT(diffSOMO(ii))
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diffDOMO = IEOR(Jdomo,iand(reunion_of_act_virt_bitmask(ii,2),psi_configuration(ii,2,k)))
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xordiffSOMODOMO = IEOR(diffSOMO,diffDOMO)
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ndiffDOMO += POPCNT(diffDOMO(ii))
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nxordiffSOMODOMO += POPCNT(xordiffSOMODOMO(ii))
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nxordiffSOMODOMO += ndiffSOMO + ndiffDOMO
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end do
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if((ndiffSOMO .NE. 0) .AND. (ndiffSOMO .NE. 2)) cycle
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diffDOMO = IEOR(Jdomo,iand(act_bitmask(1,1),psi_configuration(1,2,k)))
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xordiffSOMODOMO = IEOR(diffSOMO,diffDOMO)
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ndiffDOMO = POPCNT(diffDOMO)
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nxordiffSOMODOMO = POPCNT(xordiffSOMODOMO)
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nxordiffSOMODOMO += ndiffSOMO + ndiffDOMO
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!if(POPCNT(IEOR(diffSOMO,diffDOMO)) .LE. 1 .AND. ndiffDOMO .LT. 3) then
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if((ndiffSOMO+ndiffDOMO) .EQ. 0) then
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pqAlreadyGenQ = .TRUE.
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@ -1033,19 +1092,20 @@ END_PROVIDER
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if((nxordiffSOMODOMO .EQ. 4) .AND. ndiffSOMO .EQ. 2) then
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pqAlreadyGenQ = .TRUE.
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!EXIT
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!ppExistsQ = .TRUE.
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!print *,i,k,ndiffSOMO,ndiffDOMO
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!call debug_spindet(Jsomo,1)
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!call debug_spindet(Jdomo,1)
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!call debug_spindet(iand(reunion_of_act_virt_bitmask(1,1),psi_configuration(1,1,k)),1)
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!call debug_spindet(iand(reunion_of_act_virt_bitmask(1,1),psi_configuration(1,2,k)),1)
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EXIT
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endif
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end do
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!print *,"(,",p,",",q,")",pqAlreadyGenQ
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if(pqAlreadyGenQ) cycle
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if(pqAlreadyGenQ) then
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if(vmotype(j) == 1)then
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Jsomo(jint) = IBCLR(Jsomo(jint),jpos)
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else if(vmotype(j) == 2)then
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Jdomo(jint) = IBCLR(Jdomo(jint),jpos)
|
||||
endif
|
||||
cycle
|
||||
endif
|
||||
|
||||
pqExistsQ = .FALSE.
|
||||
! now check if this exists in the selected list
|
||||
@ -1066,53 +1126,67 @@ END_PROVIDER
|
||||
!call debug_spindet(Jsomo,1)
|
||||
!call debug_spindet(Jdomo,1)
|
||||
endif
|
||||
if(vmotype(j) == 1)then
|
||||
Jsomo(jint) = IBCLR(Jsomo(jint),jpos)
|
||||
else if(vmotype(j) == 2)then
|
||||
Jdomo(jint) = IBCLR(Jdomo(jint),jpos)
|
||||
endif
|
||||
end do
|
||||
if(holetype(i) == 1)then
|
||||
Jsomo(iint) = IBSET(Jsomo(iint),ipos)
|
||||
else if(holetype(i) == 2)then
|
||||
Jdomo(iint) = IBSET(Jdomo(iint),ipos)
|
||||
endif
|
||||
end do
|
||||
|
||||
!print *,tableUniqueAlphas(:,:)
|
||||
|
||||
! prune list of alphas
|
||||
Isomo = Icfg(1,1)
|
||||
Idomo = Icfg(1,2)
|
||||
Jsomo = Icfg(1,1)
|
||||
Jdomo = Icfg(1,2)
|
||||
do i=1, N_int
|
||||
Isomo(i) = iand(act_bitmask(i,1),Icfg(i,1))
|
||||
Idomo(i) = iand(act_bitmask(i,1),Icfg(i,2))
|
||||
Jsomo(i) = Isomo(i)
|
||||
Jdomo(i) = Idomo(i)
|
||||
enddo
|
||||
|
||||
NalphaIcfg = 0
|
||||
do i = 1, nholes
|
||||
p = listholes(i)
|
||||
do j = 1, nvmos
|
||||
q = listvmos(j)
|
||||
if(p .EQ. q) cycle
|
||||
if(tableUniqueAlphas(p,q)) then
|
||||
if(holetype(i) .EQ. 1 .AND. vmotype(j) .EQ. 1) then
|
||||
! SOMO -> VMO
|
||||
Jsomo = IBCLR(Isomo,p-1)
|
||||
Jsomo = IBSET(Jsomo,q-1)
|
||||
Jdomo = Idomo
|
||||
else if(holetype(i) .EQ. 1 .AND. vmotype(j) .EQ. 2) then
|
||||
! SOMO -> SOMO
|
||||
Jsomo = IBCLR(Isomo,p-1)
|
||||
Jsomo = IBCLR(Jsomo,q-1)
|
||||
Jdomo = IBSET(Idomo,q-1)
|
||||
else if(holetype(i) .EQ. 2 .AND. vmotype(j) .EQ. 1) then
|
||||
! DOMO -> VMO
|
||||
Jsomo = IBSET(Isomo,p-1)
|
||||
Jsomo = IBSET(Jsomo,q-1)
|
||||
Jdomo = IBCLR(Idomo,p-1)
|
||||
else if(holetype(i) .EQ. 2 .AND. vmotype(j) .EQ. 2) then
|
||||
! DOMO -> SOMO
|
||||
Jsomo = IBSET(Isomo,p-1)
|
||||
Jsomo = IBCLR(Jsomo,q-1)
|
||||
Jdomo = IBCLR(Idomo,p-1)
|
||||
Jdomo = IBSET(Jdomo,q-1)
|
||||
else
|
||||
print*,"Something went wrong in obtain_associated_alphaI"
|
||||
endif
|
||||
pp = listholes(i)
|
||||
iint = shiftr(pp-1,bit_kind_shift) + 1
|
||||
ipos = pp-shiftl((iint-1),bit_kind_shift)-1
|
||||
if(holetype(i) == 1)then
|
||||
Jsomo(iint) = IBCLR(Jsomo(iint),ipos)
|
||||
else if(holetype(i) == 2)then
|
||||
Jdomo(iint) = IBCLR(Jdomo(iint),ipos)
|
||||
endif
|
||||
|
||||
do j = 1, nvmos
|
||||
qq = listvmos(j)
|
||||
jint = shiftr(qq-1,bit_kind_shift) + 1
|
||||
jpos = qq-shiftl((iint-1),bit_kind_shift)-1
|
||||
if(vmotype(j) == 1)then
|
||||
Jsomo(jint) = IBSET(Jsomo(jint),jpos)
|
||||
else if(vmotype(j) == 2)then
|
||||
Jdomo(jint) = IBSET(Jdomo(jint),jpos)
|
||||
endif
|
||||
if(pp .EQ. qq) cycle
|
||||
if(tableUniqueAlphas(pp,qq)) then
|
||||
! SOMO
|
||||
NalphaIcfg += 1
|
||||
!print *,i,j,"|",NalphaIcfg
|
||||
alphasIcfg(1,1,NalphaIcfg) = Jsomo
|
||||
alphasIcfg(1,2,NalphaIcfg) = IOR(Jdomo,ISHFT(1_8,n_core_orb)-1)
|
||||
alphasIcfg_list(:,1,idxI,NalphaIcfg) = Jcfg(:,1)
|
||||
if(n_core_orb .le. 63)then
|
||||
alphasIcfg_list(1,2,idxI,NalphaIcfg) = IOR(Jcfg(1,2),ISHFT(1_8,n_core_orb)-1)
|
||||
else
|
||||
n_core_orb_64 = n_core_orb
|
||||
do ii=1,N_int
|
||||
if(n_core_orb_64 .gt. 0)then
|
||||
alphasIcfg_list(ii,2,idxI,NalphaIcfg) = IOR(Jcfg(ii,2),ISHFT(1_8,n_core_orb_64)-1)
|
||||
else
|
||||
alphasIcfg_list(ii,2,idxI,NalphaIcfg) = Jcfg(ii,2)
|
||||
endif
|
||||
n_core_orb_64 = ISHFT(n_core_orb_64,-6)
|
||||
end do
|
||||
endif
|
||||
!print *,"I = ",idxI, " Na=",NalphaIcfg," - ",Jsomo, IOR(Jdomo,ISHFT(1_8,n_core_orb)-1)
|
||||
endif
|
||||
end do
|
||||
@ -1123,12 +1197,22 @@ END_PROVIDER
|
||||
Isomo = iand(act_bitmask(1,1),Icfg(1,1))
|
||||
Idomo = iand(act_bitmask(1,1),Icfg(1,2))
|
||||
do k = 1, idxI-1
|
||||
diffSOMO = IEOR(Isomo,iand(act_bitmask(1,1),psi_configuration(1,1,k)))
|
||||
diffDOMO = IEOR(Idomo,iand(act_bitmask(1,1),psi_configuration(1,2,k)))
|
||||
xordiffSOMODOMO = IEOR(diffSOMO,diffDOMO)
|
||||
ndiffSOMO = POPCNT(diffSOMO)
|
||||
ndiffDOMO = POPCNT(diffDOMO)
|
||||
nxordiffSOMODOMO = POPCNT(xordiffSOMODOMO)
|
||||
do ii=1,N_int
|
||||
diffSOMO = IEOR(Icfg(ii,1),iand(act_bitmask(ii,1),psi_configuration(ii,1,k)))
|
||||
ndiffSOMO += POPCNT(diffSOMO(ii))
|
||||
end do
|
||||
! ndiffSOMO cannot be 0 (I /= k)
|
||||
! if ndiffSOMO /= 2 then it has to be greater than 2 and hense
|
||||
! this Icfg could not have been generated before.
|
||||
if (ndiffSOMO /= 2) cycle
|
||||
ndiffDOMO = 0
|
||||
nxordiffSOMODOMO = 0
|
||||
do ii=1,N_int
|
||||
diffDOMO = IEOR(Icfg(ii,2),iand(act_bitmask(ii,1),psi_configuration(ii,2,k)))
|
||||
xordiffSOMODOMO = IEOR(diffSOMO,diffDOMO)
|
||||
ndiffDOMO += POPCNT(diffDOMO(ii))
|
||||
nxordiffSOMODOMO += POPCNT(xordiffSOMODOMO(ii))
|
||||
end do
|
||||
if((ndiffSOMO+ndiffDOMO+nxordiffSOMODOMO .EQ. 4) .AND. ndiffSOMO .EQ. 2) then
|
||||
ppExistsQ = .TRUE.
|
||||
EXIT
|
||||
@ -1141,8 +1225,8 @@ END_PROVIDER
|
||||
!print *,p,q,"|",holetype(i),vmotype(j),NalphaIcfg
|
||||
!call debug_spindet(Idomo,1)
|
||||
!call debug_spindet(Jdomo,1)
|
||||
alphasIcfg(1,1,NalphaIcfg) = Icfg(1,1)
|
||||
alphasIcfg(1,2,NalphaIcfg) = Icfg(1,2)
|
||||
alphasIcfg_list(:,1,idxI,NalphaIcfg) = Icfg(:,1)
|
||||
alphasIcfg_list(:,2,idxI,NalphaIcfg) = Icfg(:,2)
|
||||
endif
|
||||
|
||||
end subroutine
|
||||
|
Loading…
Reference in New Issue
Block a user