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24 lines
440 B
Forth
24 lines
440 B
Forth
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program scf
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call orthonormalize_mos
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call run
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end
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subroutine run
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use bitmasks
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implicit none
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double precision :: SCF_energy_before,SCF_energy_after,diag_H_mat_elem,get_mo_bielec_integral
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double precision :: E0
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integer :: i_it, i, j, k
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E0 = HF_energy
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thresh_SCF = 1.d-10
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call damping_SCF
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mo_label = "Canonical"
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TOUCH mo_label mo_coef
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call save_mos
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end
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