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Davidson is broken because N_states < N_states_diag

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Anthony Scemama 2016-09-24 02:21:27 +02:00
parent dc287d7fe2
commit 7f60089223
1 changed files with 1 additions and 1 deletions
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plugins/Generators_full/generators.irp.f
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@ -30,7 +30,7 @@ END_PROVIDER
! Hartree-Fock determinant
END_DOC
integer :: i, k
do i=1,N_det
do i=1,N_det_generators
do k=1,N_int
psi_det_generators(k,1,i) = psi_det_sorted(k,1,i)
psi_det_generators(k,2,i) = psi_det_sorted(k,2,i)