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Fixed Maxloc

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This commit is contained in:
Anthony Scemama 2020-10-24 14:11:04 +02:00
parent b148408938
commit 862a1804a4
1 changed files with 1 additions and 1 deletions
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src/cipsi/selection.irp.f
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@ -815,7 +815,7 @@ subroutine fill_buffer_double(i_generator, sp, h1, h2, bannedOrb, banned, fock_d
stop -1
endif
pt2_matrix = dabs(pt2_matrix)
iwork(1:N_states) = maxloc(pt2_matrix,1)
iwork(1:N_states+1) = maxloc(pt2_matrix,DIM=1)
do k=1,N_states
e_pert(iwork(k)) = eigvalues(k) - E0(iwork(k))
enddo