10
0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-23 04:43:45 +01:00

removed the angle minimization after the diagonalization of tc mat

This commit is contained in:
eginer 2022-10-30 12:20:30 +01:00
parent e0650db8b1
commit 0bea180fc6

View File

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