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i_h_j_single_spin_complex

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This commit is contained in:
Kevin Gasperich 2020-02-24 14:54:48 -06:00
parent 7d55f314a4
commit a2b662d795
1 changed files with 2 additions and 7 deletions
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9
src/determinants/slater_rules.irp.f
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@ -2761,11 +2761,6 @@ end
subroutine i_H_j_single_spin_complex(key_i,key_j,Nint,spin,hij) subroutine i_H_j_single_spin_complex(key_i,key_j,Nint,spin,hij)
!todo: modify/implement for complex
if (is_complex) then
print*,irp_here,' not implemented for complex'
stop -1
endif
use bitmasks use bitmasks
implicit none implicit none
BEGIN_DOC BEGIN_DOC
@ -2774,12 +2769,12 @@ subroutine i_H_j_single_spin_complex(key_i,key_j,Nint,spin,hij)
END_DOC END_DOC
integer, intent(in) :: Nint, spin integer, intent(in) :: Nint, spin
integer(bit_kind), intent(in) :: key_i(Nint,2), key_j(Nint,2) integer(bit_kind), intent(in) :: key_i(Nint,2), key_j(Nint,2)
double precision, intent(out) :: hij complex*16, intent(out) :: hij
integer :: exc(0:2,2) integer :: exc(0:2,2)
double precision :: phase double precision :: phase
PROVIDE big_array_exchange_integrals mo_two_e_integrals_in_map PROVIDE big_array_exchange_integrals_complex mo_two_e_integrals_in_map
call get_single_excitation_spin(key_i(1,spin),key_j(1,spin),exc,phase,Nint) call get_single_excitation_spin(key_i(1,spin),key_j(1,spin),exc,phase,Nint)
call get_single_excitation_from_fock(key_i,key_j,exc(1,1),exc(1,2),spin,phase,hij) call get_single_excitation_from_fock(key_i,key_j,exc(1,1),exc(1,2),spin,phase,hij)