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| subroutine, public | hamiltonian_elec_oct_m::hamiltonian_elec_init (hm, namespace, space, gr, ions, ext_partners, st, theory_level, xc, mc, kpoints, need_exchange, xc_photons) |
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| subroutine | build_external_potentials () |
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| subroutine | external_potentials_checks () |
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| subroutine | build_interactions () |
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| subroutine, public | hamiltonian_elec_oct_m::hamiltonian_elec_end (hm) |
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| logical function | hamiltonian_elec_oct_m::hamiltonian_elec_hermitian (hm) |
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| subroutine | hamiltonian_elec_oct_m::hamiltonian_elec_span (hm, delta, emin, namespace) |
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| pure logical function, public | hamiltonian_elec_oct_m::hamiltonian_elec_inh_term (hm) |
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| subroutine, public | hamiltonian_elec_oct_m::hamiltonian_elec_set_inh (hm, st) |
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| subroutine, public | hamiltonian_elec_oct_m::hamiltonian_elec_remove_inh (hm) |
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| subroutine, public | hamiltonian_elec_oct_m::hamiltonian_elec_adjoint (hm) |
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| subroutine, public | hamiltonian_elec_oct_m::hamiltonian_elec_not_adjoint (hm) |
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| subroutine | hamiltonian_elec_oct_m::hamiltonian_elec_update (this, mesh, namespace, space, ext_partners, time) |
| | (re-)build the Hamiltonian for the next application: More...
|
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| subroutine | build_phase () |
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| subroutine, public | hamiltonian_elec_oct_m::hamiltonian_elec_update_pot (this, mesh, accumulate) |
| | Update the KS potential of the electronic Hamiltonian. More...
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| subroutine, public | hamiltonian_elec_oct_m::hamiltonian_elec_epot_generate (this, namespace, space, gr, ions, ext_partners, st, time) |
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| real(real64) function, public | hamiltonian_elec_oct_m::hamiltonian_elec_get_time (this) |
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| pure logical function, public | hamiltonian_elec_oct_m::hamiltonian_elec_apply_packed (this) |
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| subroutine, public | hamiltonian_elec_oct_m::zhamiltonian_elec_apply_atom (hm, namespace, space, latt, species, pos, ia, mesh, psi, vpsi) |
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| subroutine, public | hamiltonian_elec_oct_m::hamiltonian_elec_dump_vhxc (restart, hm, space, mesh, ierr) |
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| subroutine, public | hamiltonian_elec_oct_m::hamiltonian_elec_load_vhxc (restart, hm, space, mesh, ierr) |
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| subroutine, public | hamiltonian_elec_oct_m::hamiltonian_elec_update_with_ext_pot (this, mesh, space, ext_partners, time, mu) |
| | This is an extension of "hamiltonian_elec_update_pot" to be used by the CFM4 propagator. It updates the Hamiltonian by considering a weighted sum of the external potentials at times time(1) and time(2), weighted by alpha(1) and alpha(2). More...
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| subroutine, public | hamiltonian_elec_oct_m::hamiltonian_elec_set_vhxc (hm, mesh, vold, vold_tau) |
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| logical function, public | hamiltonian_elec_oct_m::hamiltonian_elec_needs_current (hm, states_are_real) |
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| subroutine, public | hamiltonian_elec_oct_m::zhamiltonian_elec_apply_all (hm, namespace, mesh, st, hst) |
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| subroutine, public | hamiltonian_elec_oct_m::magnus (hm, namespace, mesh, psi, hpsi, ik, vmagnus, set_phase) |
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| subroutine | hamiltonian_elec_oct_m::vborders (mesh, hm, psi, hpsi) |
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| logical function, public | hamiltonian_elec_oct_m::hamiltonian_elec_has_kick (hm) |
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| subroutine | hamiltonian_elec_oct_m::hamiltonian_elec_set_mass (this, namespace, mass) |
| | set the effective electron mass, checking whether it was previously redefined. More...
|
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| subroutine, public | hamiltonian_elec_oct_m::hamiltonian_elec_copy_and_set_phase (hm, gr, kpt, psib, psib_with_phase) |
| | Copy a batch to another batch and apply the Bloch phase to it. More...
|
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| subroutine | hamiltonian_elec_oct_m::dhamiltonian_elec_apply (hm, namespace, mesh, psib, hpsib, terms, set_bc) |
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| subroutine | hamiltonian_elec_oct_m::dhamiltonian_elec_magnus_apply (hm, namespace, mesh, psib, hpsib, vmagnus) |
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| subroutine, public | hamiltonian_elec_oct_m::dhamiltonian_elec_apply_batch (hm, namespace, mesh, psib, hpsib, terms, set_bc) |
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| subroutine | hamiltonian_elec_oct_m::dhamiltonian_elec_external (this, mesh, psib, vpsib) |
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| subroutine, public | hamiltonian_elec_oct_m::dhamiltonian_elec_apply_single (hm, namespace, mesh, psi, hpsi, ist, ik, terms, set_bc, set_phase) |
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| subroutine | hamiltonian_elec_oct_m::dhamiltonian_elec_magnus_apply_batch (hm, namespace, mesh, psib, hpsib, vmagnus) |
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| subroutine | hamiltonian_elec_oct_m::dh_mgga_terms (hm, mesh, psib, hpsib, ghost_update) |
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| subroutine, public | hamiltonian_elec_oct_m::dvmask (mesh, hm, st) |
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| subroutine, public | hamiltonian_elec_oct_m::dhamiltonian_elec_diagonal (hm, mesh, diag, ik) |
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| subroutine | hamiltonian_elec_oct_m::zhamiltonian_elec_apply (hm, namespace, mesh, psib, hpsib, terms, set_bc) |
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| subroutine | hamiltonian_elec_oct_m::zhamiltonian_elec_magnus_apply (hm, namespace, mesh, psib, hpsib, vmagnus) |
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| subroutine, public | hamiltonian_elec_oct_m::zhamiltonian_elec_apply_batch (hm, namespace, mesh, psib, hpsib, terms, set_bc) |
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| subroutine | hamiltonian_elec_oct_m::zhamiltonian_elec_external (this, mesh, psib, vpsib) |
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| subroutine, public | hamiltonian_elec_oct_m::zhamiltonian_elec_apply_single (hm, namespace, mesh, psi, hpsi, ist, ik, terms, set_bc, set_phase) |
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| subroutine | hamiltonian_elec_oct_m::zhamiltonian_elec_magnus_apply_batch (hm, namespace, mesh, psib, hpsib, vmagnus) |
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| subroutine | hamiltonian_elec_oct_m::zh_mgga_terms (hm, mesh, psib, hpsib, ghost_update) |
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| subroutine, public | hamiltonian_elec_oct_m::zvmask (mesh, hm, st) |
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| subroutine, public | hamiltonian_elec_oct_m::zhamiltonian_elec_diagonal (hm, mesh, diag, ik) |
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1.9.4