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removed s2 penality

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Abdallah Ammar 2023-04-14 02:12:53 +02:00
parent 948f839952
commit ef34717378
1 changed files with 2 additions and 2 deletions
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src/davidson/diagonalization_hs2_dressed.irp.f
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@ -462,8 +462,8 @@ subroutine davidson_diag_hjj_sjj(dets_in,u_in,H_jj,s2_out,energies,dim_in,sze,N_
double precision, allocatable :: work(:) double precision, allocatable :: work(:)
! y = h y = h
y = h_p !y = h_p
lwork = -1 lwork = -1
allocate(work(1)) allocate(work(1))
call dsygv(1,'V','U',shift2,y,size(y,1), & call dsygv(1,'V','U',shift2,y,size(y,1), &