subroutine select_doubles(i_generator,hole_mask,particle_mask,fock_diag_tmp,E0,pt2,buf) use bitmasks use selection_types implicit none integer, intent(in) :: i_generator integer(bit_kind), intent(in) :: hole_mask(N_int,2), particle_mask(N_int,2) double precision, intent(in) :: fock_diag_tmp(mo_tot_num) double precision, intent(in) :: E0(N_states) double precision, intent(inout) :: pt2(N_states) type(selection_buffer), intent(inout) :: buf double precision :: mat(N_states, mo_tot_num, mo_tot_num) integer :: h1,h2,s1,s2,i1,i2,ib,sp,k integer(bit_kind) :: hole(N_int,2), particle(N_int,2), mask(N_int, 2) logical :: fullMatch, ok do k=1,N_int hole (k,1) = iand(psi_det_generators(k,1,i_generator), hole_mask(k,1)) hole (k,2) = iand(psi_det_generators(k,2,i_generator), hole_mask(k,2)) particle(k,1) = iand(not(psi_det_generators(k,1,i_generator)), particle_mask(k,1)) particle(k,2) = iand(not(psi_det_generators(k,2,i_generator)), particle_mask(k,2)) enddo integer :: N_holes(2), N_particles(2) integer :: hole_list(N_int*bit_kind_size,2) integer :: particle_list(N_int*bit_kind_size,2) call bitstring_to_list_ab(hole , hole_list , N_holes , N_int) call bitstring_to_list_ab(particle, particle_list, N_particles, N_int) !call assert(psi_det_generators(1,1,i_generator) == psi_det_sorted(1,1,i_generator), "sorted selex") do s1=1,2 do s2=s1,2 sp = s1 if(s1 /= s2) sp = 3 do i1=N_holes(s1),1,-1 ! Generate low excitations first ib = 1 if(s1 == s2) ib = i1+1 do i2=N_holes(s2),ib,-1 ! Generate low excitations first h1 = hole_list(i1,s1) h2 = hole_list(i2,s2) call apply_holes(psi_det_generators(1,1,i_generator), s1,h1,s2,h2, mask, ok, N_int) !call assert(ok, irp_here) logical :: banned(mo_tot_num, mo_tot_num,2) logical :: bannedOrb(mo_tot_num, 2) banned = .false. bannedOrb = .false. bannedOrb(h1, s1) = .true. bannedOrb(h2, s2) = .true. call spot_isinwf(mask, psi_det_sorted, i_generator, N_det, banned, fullMatch) if(fullMatch) cycle if(sp /= 2) call spot_occupied(mask(1,1), bannedOrb(1,1)) if(sp /= 1) call spot_occupied(mask(1,2), bannedOrb(1,2)) mat = 0d0 call splash_pq(mask, sp, psi_det_sorted, i_generator, N_det_selectors, bannedOrb, banned, mat) call fill_buffer_double(i_generator, sp, h1, h2, bannedOrb, banned, fock_diag_tmp, E0, pt2, mat, buf) end do end do end do end do end subroutine subroutine fill_buffer_double(i_generator, sp, h1, h2, bannedOrb, banned, fock_diag_tmp, E0, pt2, mat, buf) use bitmasks use selection_types implicit none integer, intent(in) :: i_generator, sp, h1, h2 double precision, intent(in) :: mat(N_states, mo_tot_num, mo_tot_num) logical, intent(in) :: bannedOrb(mo_tot_num, 2), banned(mo_tot_num, mo_tot_num) double precision, intent(in) :: fock_diag_tmp(mo_tot_num) double precision, intent(in) :: E0(N_states) double precision, intent(inout) :: pt2(N_states) type(selection_buffer), intent(inout) :: buf logical :: ok integer :: s1, s2, p1, p2, ib, j integer(bit_kind) :: mask(N_int, 2), det(N_int, 2) double precision :: e_pert, delta_E, val, Hii double precision, external :: diag_H_mat_elem_fock logical, external :: detEq if(N_states > 1) stop "fill_buffer_double N_states > 1" if(sp == 3) then s1 = 1 s2 = 2 else s1 = sp s2 = sp end if call apply_holes(psi_det_generators(1,1,i_generator), s1, h1, s2, h2, mask, ok, N_int) !call assert(ok, "sosoqs") do p1=1,mo_tot_num if(bannedOrb(p1, s1)) cycle ib = 1 if(sp /= 3) ib = p1+1 do p2=ib,mo_tot_num if(bannedOrb(p2, s2)) cycle if(banned(p1,p2)) cycle if(mat(1, p1, p2) == 0d0) cycle call apply_particles(mask, s1, p1, s2, p2, det, ok, N_int) !call assert(ok, "ododod") val = mat(1, p1, p2) Hii = diag_H_mat_elem_fock(psi_det_generators(1,1,i_generator),det,fock_diag_tmp,N_int) delta_E = E0(1) - Hii if (delta_E < 0.d0) then e_pert = 0.5d0 * (-dsqrt(delta_E * delta_E + 4.d0 * val * val) - delta_E) else e_pert = 0.5d0 * ( dsqrt(delta_E * delta_E + 4.d0 * val * val) - delta_E) endif pt2(1) += e_pert if(dabs(e_pert) > buf%mini) then ! do j=1,buf%cur-1 ! if(detEq(buf%det(1,1,j), det, N_int)) then ! print *, "tops" ! print *, i_generator, s1, s2, h1, h2,p1,p2 ! stop ! end if ! end do call add_to_selection_buffer(buf, det, e_pert) end if end do end do end subroutine subroutine splash_pq(mask, sp, det, i_gen, N_sel, bannedOrb, banned, mat) use bitmasks implicit none integer(bit_kind),intent(in) :: mask(N_int, 2), det(N_int, 2, N_sel) integer, intent(in) :: sp, i_gen, N_sel logical, intent(inout) :: bannedOrb(mo_tot_num, 2), banned(mo_tot_num, mo_tot_num, 2) double precision, intent(inout) :: mat(N_states, mo_tot_num, mo_tot_num) integer :: i, j, k, l, h(0:2,2), p(0:4,2), nt integer(bit_kind) :: perMask(N_int, 2), mobMask(N_int, 2), negMask(N_int, 2) logical :: bandon mat = 0d0 bandon = .false. do i=1,N_int negMask(i,1) = not(mask(i,1)) negMask(i,2) = not(mask(i,2)) end do do i=1, N_sel nt = 0 do j=1,N_int mobMask(j,1) = iand(negMask(j,1), det(j,1,i)) mobMask(j,2) = iand(negMask(j,2), det(j,2,i)) nt += popcnt(mobMask(j, 1)) + popcnt(mobMask(j, 2)) end do if(nt > 4) cycle do j=1,N_int perMask(j,1) = iand(mask(j,1), not(det(j,1,i))) perMask(j,2) = iand(mask(j,2), not(det(j,2,i))) end do call bitstring_to_list(perMask(1,1), h(1,1), h(0,1), N_int) call bitstring_to_list(perMask(1,2), h(1,2), h(0,2), N_int) call bitstring_to_list(mobMask(1,1), p(1,1), p(0,1), N_int) call bitstring_to_list(mobMask(1,2), p(1,2), p(0,2), N_int) !call assert(nt >= 2, irp_here//"qsd") if(i < i_gen) then if(nt == 4) call past_d2(banned, p, sp) if(nt == 3) call past_d1(bannedOrb, p) !call assert(nt /= 2, "should have been discarded") else if(i == i_gen) then bandon = .true. if(sp == 3) then banned(:,:,2) = transpose(banned(:,:,1)) else do k=1,mo_tot_num do l=k+1,mo_tot_num banned(l,k,1) = banned(k,l,1) end do end do end if end if if(nt == 4) then call get_d2(det(1,1,i), psi_phasemask(1,1,i), bannedOrb, banned, mat, mask, h, p, sp, psi_selectors_coef_transp(1, i)) else if(nt == 3) then call get_d1(det(1,1,i), psi_phasemask(1,1,i), bannedOrb, banned, mat, mask, h, p, sp, psi_selectors_coef_transp(1, i)) else call get_d0(det(1,1,i), psi_phasemask(1,1,i), bannedOrb, banned, mat, mask, h, p, sp, psi_selectors_coef_transp(1, i)) end if end if end do call assert(bandon, "BANDON") end subroutine subroutine get_d2(gen, phasemask, bannedOrb, banned, mat, mask, h, p, sp, coefs) use bitmasks implicit none integer(bit_kind), intent(in) :: mask(N_int, 2), gen(N_int, 2) integer(1), intent(in) :: phasemask(N_int*bit_kind_size, 2) logical, intent(in) :: bannedOrb(mo_tot_num, 2), banned(mo_tot_num, mo_tot_num,2) double precision, intent(in) :: coefs(N_states) double precision, intent(inout) :: mat(N_states, mo_tot_num, mo_tot_num) integer, intent(in) :: h(0:2,2), p(0:4,2), sp double precision, external :: get_phase_bi, integral8 integer :: i, j, tip, ma, mi, puti, putj integer :: h1, h2, p1, p2, i1, i2 double precision :: hij, phase integer, parameter:: turn2d(2,3,4) = reshape((/0,0, 0,0, 0,0, 3,4, 0,0, 0,0, 2,4, 1,4, 0,0, 2,3, 1,3, 1,2 /), (/2,3,4/)) integer, parameter :: turn2(2) = (/2, 1/) integer, parameter :: turn3(2,3) = reshape((/2,3, 1,3, 1,2/), (/2,3/)) integer :: bant bant = 1 tip = p(0,1) * p(0,2) !call assert(p(0,1) + p(0,2) == 4, irp_here//"df") ma = sp if(p(0,1) > p(0,2)) ma = 1 if(p(0,1) < p(0,2)) ma = 2 mi = mod(ma, 2) + 1 !print *, "d2 SPtip", SP, tip if(sp == 3) then if(ma == 2) bant = 2 if(tip == 3) then puti = p(1, mi) do i = 1, 3 putj = p(i, ma) if(banned(putj,puti,bant)) cycle i1 = turn3(1,i) i2 = turn3(2,i) p1 = p(i1, ma) p2 = p(i2, ma) h1 = h(1, ma) h2 = h(2, ma) hij = (integral8(p1, p2, h1, h2) - integral8(p2,p1, h1, h2)) * get_phase_bi(phasemask, ma, ma, h1, p1, h2, p2) !call debug_hij(hij, gen, mask, mi, ma, puti, putj) if(ma == 1) then mat(:, putj, puti) += coefs * hij else mat(:, puti, putj) += coefs * hij end if end do else !call assert(tip == 4, "df") do i = 1,2 do j = 1,2 puti = p(i, 1) putj = p(j, 2) if(banned(puti,putj,bant)) cycle p1 = p(turn2(i), 1) p2 = p(turn2(j), 2) h1 = h(1,1) h2 = h(1,2) hij = integral8(p1, p2, h1, h2) * get_phase_bi(phasemask, 1, 2, h1, p1, h2, p2) !call debug_hij(hij, gen, mask, 1, 2, puti, putj) mat(:, puti, putj) += coefs * hij end do end do end if else if(tip == 0) then h1 = h(1, ma) h2 = h(2, ma) do i=1,3 puti = p(i, ma) do j=i+1,4 putj = p(j, ma) if(banned(puti,putj,1)) cycle i1 = turn2d(1, i, j) i2 = turn2d(2, i, j) p1 = p(i1, ma) p2 = p(i2, ma) hij = (integral8(p1, p2, h1, h2) - integral8(p2,p1, h1, h2)) * get_phase_bi(phasemask, ma, ma, h1, p1, h2, p2) !call debug_hij(hij, gen, mask, ma, ma, puti, putj) mat(:, puti, putj) += coefs * hij end do end do else if(tip == 3) then h1 = h(1, mi) h2 = h(1, ma) p1 = p(1, mi) !call assert(ma == sp, "dldl") do i=1,3 puti = p(turn3(1,i), ma) putj = p(turn3(2,i), ma) if(banned(puti,putj,1)) cycle p2 = p(i, ma) hij = integral8(p1, p2, h1, h2) * get_phase_bi(phasemask, mi, ma, h1, p1, h2, p2) !call debug_hij(hij, gen, mask, ma, ma, puti, putj) mat(:, min(puti, putj), max(puti, putj)) += coefs * hij end do else ! tip == 4 !call assert(tip == 4, "qsdf") puti = p(1, sp) putj = p(2, sp) if(.not. banned(puti,putj,1)) then p1 = p(1, mi) p2 = p(2, mi) h1 = h(1, mi) h2 = h(2, mi) hij = (integral8(p1, p2, h1, h2) - integral8(p2,p1, h1, h2)) * get_phase_bi(phasemask, mi, mi, h1, p1, h2, p2) !call debug_hij(hij, gen, mask,ma,ma, puti, putj) mat(:, puti, putj) += coefs * hij end if end if end if end subroutine subroutine debug_hij(hij, gen, mask, s1, s2, p1, p2) use bitmasks implicit none integer(bit_kind), intent(in) :: gen(N_int,2), mask(N_int,2) double precision, intent(in) :: hij integer, intent(in) :: s1, s2, p1, p2 integer(bit_kind) :: det(N_int,2) double precision :: hij_ref, phase_ref logical :: ok integer :: degree integer :: exc(0:2,2,2) call apply_particles(mask, s1, p1, s2, p2, det, ok, N_int) !call assert(ok, "nokey") call i_H_j_phase_out(gen,det,N_int,hij_ref,phase_ref,exc,degree) if(hij /= hij_ref) then print *, hij, hij_ref print *, s1, s2, p1, p2 call debug_det(gen, N_int) call debug_det(mask, N_int) stop end if ! print *, "fourar", hij, hij_ref,s1,s2 end function subroutine get_d1(gen, phasemask, bannedOrb, banned, mat, mask, h, p, sp, coefs) use bitmasks implicit none integer(bit_kind), intent(in) :: mask(N_int, 2), gen(N_int, 2) integer(1),intent(in) :: phasemask(N_int*bit_kind_size, 2) logical, intent(in) :: bannedOrb(mo_tot_num, 2), banned(mo_tot_num, mo_tot_num,2) integer(bit_kind) :: det(N_int, 2) double precision, intent(in) :: coefs(N_states) double precision, intent(inout) :: mat(N_states, mo_tot_num, mo_tot_num) double precision :: hij, tmp_row(N_states, mo_tot_num), tmp_row2(N_states, mo_tot_num) double precision, external :: get_phase_bi, integral8 logical :: lbanned(mo_tot_num, 2), ok integer :: puti, putj, ma, mi, s1, s2, i, i1, i2, j, hfix, pfix, h1, h2, p1, p2, ib integer, intent(in) :: h(0:2,2), p(0:4,2), sp integer, parameter :: turn2(2) = (/2,1/) integer, parameter :: turn3(2,3) = reshape((/2,3, 1,3, 1,2/), (/2,3/)) integer :: bant lbanned = bannedOrb do i=1, p(0,1) lbanned(p(i,1), 1) = .true. end do do i=1, p(0,2) lbanned(p(i,2), 2) = .true. end do ma = 1 if(p(0,2) >= 2) ma = 2 mi = turn2(ma) bant = 1 !print *, "d1 SP", sp, p(0,1)*p(0,2) if(sp == 3) then !move MA !call assert(p(0,1)*p(0,2) == 2, "ddmmm") if(ma == 2) bant = 2 puti = p(1,mi) hfix = h(1,ma) p1 = p(1,ma) p2 = p(2,ma) if(.not. bannedOrb(puti, mi)) then tmp_row = 0d0 do putj=1, hfix-1 if(lbanned(putj, ma) .or. banned(putj, puti,bant)) cycle hij = (integral8(p1, p2, putj, hfix)-integral8(p2,p1,putj,hfix)) * get_phase_bi(phasemask, ma, ma, putj, p1, hfix, p2) !call debug_hij(hij, gen, mask, mi, ma, puti, putj) tmp_row(:,putj) += hij * coefs end do do putj=hfix+1, mo_tot_num if(lbanned(putj, ma) .or. banned(putj, puti,bant)) cycle hij = (integral8(p1, p2, hfix, putj)-integral8(p2,p1,hfix,putj)) * get_phase_bi(phasemask, ma, ma, hfix, p1, putj, p2) !call debug_hij(hij, gen, mask, mi, ma, puti, putj) tmp_row(:,putj) += hij * coefs end do if(ma == 1) then mat(:,:,puti) += tmp_row(:,:) else mat(:,puti,:) += tmp_row(:,:) end if end if !MOVE MI pfix = p(1,mi) tmp_row = 0d0 tmp_row2 = 0d0 do puti=1,mo_tot_num if(lbanned(puti,mi)) cycle !p1 fixed putj = p1 if(.not. banned(putj,puti,bant)) then hij = integral8(p2,pfix,hfix,puti) * get_phase_bi(phasemask, ma, mi, hfix, p2, puti, pfix) tmp_row(:,puti) += hij * coefs end if !call debug_hij(hij, gen, mask, mi, ma, puti, putj) putj = p2 if(.not. banned(putj,puti,bant)) then hij = integral8(p1,pfix,hfix,puti) * get_phase_bi(phasemask, ma, mi, hfix, p1, puti, pfix) !call debug_hij(hij, gen, mask, mi, ma, puti, putj) tmp_row2(:,puti) += hij * coefs end if end do if(mi == 1) then mat(:,:,p1) += tmp_row(:,:) mat(:,:,p2) += tmp_row2(:,:) else mat(:,p1,:) += tmp_row(:,:) mat(:,p2,:) += tmp_row2(:,:) end if else if(p(0,ma) == 3) then do i=1,3 hfix = h(1,ma) puti = p(i, ma) p1 = p(turn3(1,i), ma) p2 = p(turn3(2,i), ma) tmp_row = 0d0 do putj=1,hfix-1 if(lbanned(putj,ma) .or. banned(puti,putj,1)) cycle hij = (integral8(p1, p2, putj, hfix)-integral8(p2,p1,putj,hfix)) * get_phase_bi(phasemask, ma, ma, putj, p1, hfix, p2) !call debug_hij(hij, gen, mask, ma, ma, puti, putj) tmp_row(:,putj) += hij * coefs end do do putj=hfix+1,mo_tot_num if(lbanned(putj,ma) .or. banned(puti,putj,1)) cycle hij = (integral8(p1, p2, hfix, putj)-integral8(p2,p1,hfix,putj)) * get_phase_bi(phasemask, ma, ma, hfix, p1, putj, p2) !call debug_hij(hij, gen, mask, ma, ma, puti, putj) tmp_row(:,putj) += hij * coefs end do mat(:, :puti-1, puti) += tmp_row(:,:puti-1) mat(:, puti, puti:) += tmp_row(:,puti:) end do else !call assert(sp == ma, "sp == ma") hfix = h(1,mi) pfix = p(1,mi) p1 = p(1,ma) p2 = p(2,ma) tmp_row = 0d0 tmp_row2 = 0d0 do puti=1,mo_tot_num if(lbanned(puti,ma)) cycle putj = p2 if(.not. banned(puti,putj,1)) then hij = integral8(pfix, p1, hfix, puti) * get_phase_bi(phasemask, mi, ma, hfix, pfix, puti, p1) !call debug_hij(hij, gen, mask, ma, ma, putj, puti) tmp_row(:,puti) += hij * coefs end if putj = p1 if(.not. banned(puti,putj,1)) then hij = integral8(pfix, p2, hfix, puti) * get_phase_bi(phasemask, mi, ma, hfix, pfix, puti, p2) !call debug_hij(hij, gen, mask, ma, ma, putj, puti) tmp_row2(:,puti) += hij * coefs end if end do mat(:,:p2-1,p2) += tmp_row(:,:p2-1) mat(:,p2,p2:) += tmp_row(:,p2:) mat(:,:p1-1,p1) += tmp_row2(:,:p1-1) mat(:,p1,p1:) += tmp_row2(:,p1:) end if end if !! MONO if(sp == 3) then s1 = 1 s2 = 2 else s1 = sp s2 = sp end if do i1=1,p(0,s1) ib = 1 if(s1 == s2) ib = i1+1 do i2=ib,p(0,s2) p1 = p(i1,s1) p2 = p(i2,s2) if(bannedOrb(p1, s1) .or. bannedOrb(p2, s2) .or. banned(p1, p2, 1)) cycle call apply_particles(mask, s1, p1, s2, p2, det, ok, N_int) call i_h_j(gen, det, N_int, hij) mat(:, p1, p2) += coefs * hij end do end do end subroutine subroutine get_d0(gen, phasemask, bannedOrb, banned, mat, mask, h, p, sp, coefs) use bitmasks implicit none integer(bit_kind), intent(in) :: gen(N_int, 2), mask(N_int, 2) integer(1), intent(in) :: phasemask(N_int*bit_kind_size, 2) logical, intent(in) :: bannedOrb(mo_tot_num, 2), banned(mo_tot_num, mo_tot_num,2) integer(bit_kind) :: det(N_int, 2) double precision, intent(in) :: coefs(N_states) double precision, intent(inout) :: mat(N_states, mo_tot_num, mo_tot_num) integer, intent(in) :: h(0:2,2), p(0:4,2), sp integer :: i, j, s, h1, h2, p1, p2, puti, putj double precision :: hij, phase double precision, external :: get_phase_bi, integral8 logical :: ok integer :: bant bant = 1 !print *, "d0 SP", sp if(sp == 3) then ! AB h1 = p(1,1) h2 = p(1,2) do p1=1, mo_tot_num if(bannedOrb(p1, 1)) cycle do p2=1, mo_tot_num if(bannedOrb(p2,2)) cycle if(banned(p1, p2, bant)) cycle ! rentable? if(p1 == h1 .or. p2 == h2) then call apply_particles(mask, 1,p1,2,p2, det, ok, N_int) !call assert(ok, "zsdq") call i_h_j(gen, det, N_int, hij) mat(:, p1, p2) += coefs * hij else hij = integral8(p1, p2, h1, h2) * get_phase_bi(phasemask, 1, 2, h1, p1, h2, p2) phase = get_phase_bi(phasemask, 1, 2, h1, p1, h2, p2) !call debug_hij(hij, gen, mask, 1, 2, p1, p2) mat(:, p1, p2) += coefs * hij end if end do end do else ! AA BB p1 = p(1,sp) p2 = p(2,sp) do puti=1, mo_tot_num if(bannedOrb(puti, sp)) cycle do putj=puti+1, mo_tot_num if(bannedOrb(putj, sp)) cycle if(banned(puti, putj, bant)) cycle ! rentable? if(puti == p1 .or. putj == p2 .or. puti == p2 .or. putj == p1) then call apply_particles(mask, sp,puti,sp,putj, det, ok, N_int) call i_h_j(gen, det, N_int, hij) mat(:, puti, putj) += coefs * hij else hij = (integral8(p1, p2, puti, putj) - integral8(p2, p1, puti, putj))* get_phase_bi(phasemask, sp, sp, puti, p1 , putj, p2) mat(:, puti, putj) += coefs * hij !call debug_hij(hij, gen, mask, sp, sp, puti, putj) end if end do end do end if end subroutine subroutine past_d1(bannedOrb, p) use bitmasks implicit none logical, intent(inout) :: bannedOrb(mo_tot_num, 2) integer, intent(in) :: p(0:4, 2) integer :: i,s do s = 1, 2 do i = 1, p(0, s) bannedOrb(p(i, s), s) = .true. end do end do end subroutine subroutine past_d2(banned, p, sp) use bitmasks implicit none logical, intent(inout) :: banned(mo_tot_num, mo_tot_num) integer, intent(in) :: p(0:4, 2), sp integer :: i,j if(sp == 3) then do i=1,p(0,1) do j=1,p(0,2) banned(p(i,1), p(j,2)) = .true. end do end do else do i=1,p(0, sp) do j=1,i-1 banned(p(j,sp), p(i,sp)) = .true. banned(p(i,sp), p(j,sp)) = .true. end do end do end if end subroutine subroutine spot_isinwf(mask, det, i_gen, N, banned, fullMatch) use bitmasks implicit none integer(bit_kind),intent(in) :: mask(N_int, 2), det(N_int, 2, N) integer, intent(in) :: i_gen, N logical, intent(inout) :: banned(mo_tot_num, mo_tot_num) logical, intent(out) :: fullMatch integer :: i, j, na, nb, list(3) integer(bit_kind) :: myMask(N_int, 2), negMask(N_int, 2) fullMatch = .false. do i=1,N_int negMask(i,1) = not(mask(i,1)) negMask(i,2) = not(mask(i,2)) end do genl : do i=1, N do j=1, N_int if(iand(det(j,1,i), mask(j,1)) /= mask(j, 1)) cycle genl if(iand(det(j,2,i), mask(j,2)) /= mask(j, 2)) cycle genl end do if(i < i_gen) then fullMatch = .true. return end if do j=1, N_int myMask(j, 1) = iand(det(j, 1, i), negMask(j, 1)) myMask(j, 2) = iand(det(j, 2, i), negMask(j, 2)) end do call bitstring_to_list(myMask(1,1), list(1), na, N_int) call bitstring_to_list(myMask(1,2), list(na+1), nb, N_int) !call assert(na + nb == 2, "oyo") !call assert(na == 1 .or. list(1) < list(2), "sqdsmmmm") banned(list(1), list(2)) = .true. end do genl end subroutine