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Provide fragment count

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This commit is contained in:
Anthony Scemama 2017-02-12 09:37:00 +01:00
parent 233b82c58d
commit da50bc6f72
4 changed files with 7 additions and 3 deletions
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2
plugins/Full_CI_ZMQ/selection.irp.f
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@ -293,6 +293,8 @@ subroutine select_doubles(i_generator,hole_mask,particle_mask,fock_diag_tmp,E0,p
logical :: monoAdo, monoBdo;
integer :: maskInd
PROVIDE fragment_count
monoAdo = .true.
monoBdo = .true.

4
plugins/Full_CI_ZMQ/selection_davidson_slave.irp.f
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@ -12,8 +12,8 @@ program selection_slave
end
subroutine provide_everything
PROVIDE H_apply_buffer_allocated mo_bielec_integrals_in_map psi_det_generators psi_coef_generators psi_det_sorted_bit psi_selectors n_det_generators n_states generators_bitmask zmq_context mo_mono_elec_integral
! PROVIDE pt2_e0_denominator mo_tot_num N_int
PROVIDE H_apply_buffer_allocated mo_bielec_integrals_in_map psi_det_generators psi_coef_generators psi_det_sorted_bit psi_selectors n_det_generators n_states generators_bitmask zmq_context
PROVIDE pt2_e0_denominator mo_tot_num N_int fragment_count
end
subroutine run_wf

2
plugins/Full_CI_ZMQ/selection_slave.irp.f
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@ -13,7 +13,7 @@ end
subroutine provide_everything
PROVIDE H_apply_buffer_allocated mo_bielec_integrals_in_map psi_det_generators psi_coef_generators psi_det_sorted_bit psi_selectors n_det_generators n_states generators_bitmask zmq_context
PROVIDE pt2_e0_denominator mo_tot_num N_int
PROVIDE pt2_e0_denominator mo_tot_num N_int fragment_count
end
subroutine run_wf

2
plugins/Full_CI_ZMQ/zmq_selection.irp.f
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@ -13,6 +13,8 @@ subroutine ZMQ_selection(N_in, pt2)
double precision, intent(out) :: pt2(N_states)
PROVIDE fragment_count
if (.True.) then
PROVIDE pt2_e0_denominator
N = max(N_in,1)