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added h_p in davidson diagonalization hS2
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@ -465,7 +465,8 @@ subroutine davidson_diag_hjj_sjj(dets_in,u_in,H_jj,s2_out,energies,dim_in,sze,N_
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integer :: lwork, info
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integer :: lwork, info
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double precision, allocatable :: work(:)
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double precision, allocatable :: work(:)
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y = h
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! y = h
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y = h_p
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lwork = -1
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lwork = -1
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allocate(work(1))
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allocate(work(1))
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call dsygv(1,'V','U',shift2,y,size(y,1), &
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call dsygv(1,'V','U',shift2,y,size(y,1), &
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