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Initialize local energy. #41

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v1j4y 2021-10-15 14:00:36 +02:00
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@ -1219,6 +1219,7 @@ integer function qmckl_compute_local_energy_f(context, walk_num, &
return return
endif endif
e_local = 0.0d0
do iwalk = 1, walk_num do iwalk = 1, walk_num
e_local(iwalk) = e_local(iwalk) + e_kin(iwalk) + e_pot(iwalk) e_local(iwalk) = e_local(iwalk) + e_kin(iwalk) + e_pot(iwalk)
end do end do