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added the keyword to minimize tc angles at the end of TC SCF
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@ -280,3 +280,8 @@ doc: approach used to evaluate TC integrals [ analytic | numeric | semi-analytic
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interface: ezfio,ocaml,provider
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interface: ezfio,ocaml,provider
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default: semi-analytic
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default: semi-analytic
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[minimize_lr_angles]
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type: logical
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doc: If |true|, you minimize the angle between the left and right vectors associated to degenerate orbitals
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interface: ezfio,provider,ocaml
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default: False
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@ -78,7 +78,9 @@ program tc_scf
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! TODO
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! TODO
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! rotate angles in separate code only if necessary
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! rotate angles in separate code only if necessary
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!call minimize_tc_orb_angles()
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if(minimize_lr_angles)then
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call minimize_tc_orb_angles()
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endif
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call print_energy_and_mos(good_angles)
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call print_energy_and_mos(good_angles)
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endif
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endif
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