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Author SHA1 Message Date
eginer a7a43dafb6 modified the doc according to the new path of tuto plugin 2024-03-25 17:02:28 +01:00
eginer 9abc0c996a mv tuto_plugins in local 2024-03-25 17:00:14 +01:00
eginer 64523de3ae minor modifs in cipsi_tc_bi_ortho/selection.irp.f 2024-03-22 18:33:17 +01:00
10 changed files with 3 additions and 1 deletions

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@ -0,0 +1 @@
.. include:: ../../../plugins/local/tuto_plugins/tuto_I/tuto_I.rst

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@ -0,0 +1 @@
.. include:: ../../../plugins/README.rst

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@ -960,7 +960,7 @@ subroutine fill_buffer_double(i_generator, sp, h1, h2, bannedOrb, banned, fock_d
! endif
e_pert(istate) = 0.25 * val / delta_E
! e_pert(istate) = 0.5d0 * (tmp - delta_E)
if(dsqrt(dabs(tmp)).gt.1.d-4.and.dabs(alpha_h_psi).gt.1.d-4)then
if(dsqrt(tmp).gt.1.d-4.and.dabs(psi_h_alpha).gt.1.d-4)then
coef(istate) = e_pert(istate) / psi_h_alpha
else
coef(istate) = alpha_h_psi / delta_E