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32 lines
546 B
Fortran
32 lines
546 B
Fortran
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program tc_pt2_prog
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implicit none
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my_grid_becke = .True.
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my_n_pt_r_grid = 30
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my_n_pt_a_grid = 50
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touch my_grid_becke my_n_pt_r_grid my_n_pt_a_grid
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pruning = -1.d0
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touch pruning
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! pt2_relative_error = 0.01d0
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! touch pt2_relative_error
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call run_pt2_tc
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end
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subroutine run_pt2_tc
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implicit none
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PROVIDE psi_det psi_coef mo_bi_ortho_tc_two_e mo_bi_ortho_tc_one_e
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if(elec_alpha_num+elec_beta_num.ge.3)then
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if(three_body_h_tc)then
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call provide_all_three_ints_bi_ortho
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endif
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endif
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! ---
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call tc_pt2
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end
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