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fixed debug comment. #41

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v1j4y 2021-10-25 19:25:13 +02:00
parent a94f446dd0
commit 5ea5e83c6c
1 changed files with 2 additions and 2 deletions
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org/qmckl_local_energy.org
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@ -427,8 +427,8 @@ integer function qmckl_compute_kinetic_energy_f(context, walk_num, &
do imo = 1, beta_num
do ielec = 1, beta_num
mo_id = mo_index_beta(ielec, iwalk, idet)
e_kin(iwalk) = e_kin(iwalk) - 0.5d0 * det_adj_matrix_beta(imo, ielec, iwalk, idet)
! mo_vgl(mo_id, ielec, 5)
e_kin(iwalk) = e_kin(iwalk) - 0.5d0 * det_adj_matrix_beta(imo, ielec, iwalk, idet) * &
mo_vgl(mo_id, ielec, 5)
end do
end do
end do