2014-06-11 00:44:07 +02:00
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use bitmasks
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BEGIN_SHELL [ /usr/bin/env python ]
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from generate_h_apply import *
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from perturbation import perturbations
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for perturbation in perturbations:
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2014-06-20 15:23:04 +02:00
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s = H_apply("cisd_selection_"+perturbation,do_mono_exc=False)
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2014-06-11 00:44:07 +02:00
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s.set_selection_pt2(perturbation)
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print s
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END_SHELL
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subroutine H_apply_cisd_selection(perturbation,pt2, norm_pert, H_pert_diag, N_st)
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implicit none
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character*(64), intent(in) :: perturbation
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integer, intent(in) :: N_st
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double precision, intent(inout):: pt2(N_st), norm_pert(N_st), H_pert_diag(N_st)
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BEGIN_SHELL [ /usr/bin/env python ]
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from perturbation import perturbations
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for perturbation in perturbations:
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print """
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if (perturbation == '%s') then
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call H_apply_cisd_selection_%s(pt2, norm_pert, H_pert_diag, N_st)
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endif
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"""%(perturbation,perturbation)
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END_SHELL
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end
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