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Change in weights

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Anthony Scemama 2021-03-12 11:42:15 +01:00
parent 9f26e53351
commit 2a26476613
1 changed files with 1 additions and 1 deletions
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2
src/cipsi/selection.irp.f
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@ -796,7 +796,7 @@ subroutine fill_buffer_double(i_generator, sp, h1, h2, bannedOrb, banned, fock_d
enddo
call configuration_to_dets_size(occ,n,elec_alpha_num,N_int)
n = max(n,1)
w *= dsqrt(dble(n))
w *= dble(n)
endif
if(w <= buf%mini) then