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27 lines
505 B
Fortran
27 lines
505 B
Fortran
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! ---
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program minimize_tc_angles
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BEGIN_DOC
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! program that minimizes the angle between left- and right-orbitals when degeneracies are found in the TC-Fock matrix
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END_DOC
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implicit none
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my_grid_becke = .True.
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PROVIDE tc_grid1_a tc_grid1_r
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my_n_pt_r_grid = tc_grid1_r
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my_n_pt_a_grid = tc_grid1_a
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touch my_n_pt_r_grid my_n_pt_a_grid
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! call sort_by_tc_fock
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! TODO
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! check if rotations of orbitals affect the TC energy
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! and refuse the step
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call minimize_tc_orb_angles
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end
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