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removed the angle minimization after the diagonalization of tc mat
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eginer 2022-10-30 12:20:30 +01:00
parent e0650db8b1
commit 0bea180fc6

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@ -12,6 +12,7 @@
touch my_grid_becke my_n_pt_r_grid my_n_pt_a_grid
call print_energy_and_mos
call save_tc_natorb
! call minimize_tc_orb_angles
end
subroutine save_tc_natorb