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23 lines
579 B
Fortran
23 lines
579 B
Fortran
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! Orbital optimization program
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! This is an optimization program for molecular orbitals. It produces
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! orbital rotations in order to lower the energy of a truncated wave
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! function.
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! This program just optimize the orbitals for a fixed number of
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! determinants. This optimization process must be repeated for different
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! number of determinants.
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! Main program : orb_opt_trust
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program orb_opt
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read_wf = .true. ! must be True for the orbital optimization !!!
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TOUCH read_wf
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io_mo_two_e_integrals = 'None'
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TOUCH io_mo_two_e_integrals
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call run_orb_opt_trust_v2
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end
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