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rotate lr angles separately
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@ -8,6 +8,10 @@ program print_angles
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my_n_pt_a_grid = 50
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my_n_pt_a_grid = 50
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touch my_n_pt_r_grid my_n_pt_a_grid
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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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! 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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call minimize_tc_orb_angles
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end
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end
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@ -53,7 +53,7 @@ program tc_scf
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stop
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stop
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endif
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endif
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call minimize_tc_orb_angles()
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!call minimize_tc_orb_angles()
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endif
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endif
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