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| subroutine, public | rdmft_oct_m::rdmft_init (rdm, namespace, gr, st, mc, space, fromScratch) |
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| subroutine, public | rdmft_oct_m::rdmft_end (rdm) |
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| subroutine, public | rdmft_oct_m::scf_rdmft (rdm, namespace, space, gr, ions, ext_partners, st, ks, hm, outp, restart_dump) |
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| subroutine | scf_write_static (dir, fname) |
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| subroutine | rdmft_oct_m::calc_maxfo (namespace, hm, st, gr, rdm) |
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| subroutine | rdmft_oct_m::calc_photon_number (space, gr, st, photons, photon_number_state, ekin_state, epot_state) |
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| subroutine | rdmft_oct_m::set_occ_pinning (st) |
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| subroutine | rdmft_oct_m::scf_occ_no (rdm, namespace, gr, hm, space, st, energy) |
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| subroutine | rdmft_oct_m::scf_occ (rdm, namespace, gr, hm, space, st, energy) |
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| subroutine | rdmft_oct_m::objective_rdmft (size, theta, objective, getgrad, df) |
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| subroutine | rdmft_oct_m::write_iter_info_rdmft (iter, size, energy, maxdr, maxdf, theta) |
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| subroutine | rdmft_oct_m::scf_orb (rdm, namespace, gr, st, hm, space, energy) |
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| subroutine | rdmft_oct_m::scf_orb_cg (rdm, namespace, space, gr, ions, ext_partners, st, ks, hm, energy) |
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| subroutine | rdmft_oct_m::construct_lambda (namespace, hm, st, gr, lambda, rdm) |
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| subroutine | rdmft_oct_m::assign_eigfunctions (rdm, st, lambda) |
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| subroutine | rdmft_oct_m::total_energy_rdm (rdm, occ, energy, dE_dn) |
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| subroutine | rdmft_oct_m::rdm_derivatives (rdm, namespace, hm, st, gr, space) |
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| subroutine | rdmft_oct_m::rdm_integrals (rdm, namespace, hm, st, mesh) |
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| subroutine | rdmft_oct_m::sum_integrals (rdm) |
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1.9.4