hamiltonian_elec_oct_m Module Reference

Data Types
type	hamiltonian_elec_t

Functions/Subroutines
subroutine, public	hamiltonian_elec_init (hm, namespace, space, gr, ions, ext_partners, st, theory_level, xc, mc, kpoints, need_exchange, xc_photons)
subroutine, public	hamiltonian_elec_end (hm)
logical function	hamiltonian_elec_hermitian (hm)
pure logical function	hamiltonian_elec_needs_mgga_term (hm, terms)
subroutine	hamiltonian_elec_span (hm, delta, emin, namespace)
pure logical function, public	hamiltonian_elec_inh_term (hm)
subroutine, public	hamiltonian_elec_set_inh (hm, st)
subroutine, public	hamiltonian_elec_remove_inh (hm)
subroutine, public	hamiltonian_elec_adjoint (hm)
subroutine, public	hamiltonian_elec_not_adjoint (hm)
subroutine	hamiltonian_elec_update (this, mesh, namespace, space, ext_partners, time)
	(re-)build the Hamiltonian for the next application: More...
subroutine, public	hamiltonian_elec_update_pot (this, mesh, accumulate)
	Update the KS potential of the electronic Hamiltonian. More...
subroutine, public	hamiltonian_elec_epot_generate (this, namespace, space, gr, ions, ext_partners, st, time)
real(real64) function, public	hamiltonian_elec_get_time (this)
pure logical function, public	hamiltonian_elec_apply_packed (this)
subroutine, public	zhamiltonian_elec_apply_atom (hm, namespace, space, latt, species, pos, ia, mesh, psi, vpsi)
subroutine, public	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...
logical function, public	hamiltonian_elec_needs_current (hm, states_are_real)
subroutine, public	zhamiltonian_elec_apply_all (hm, namespace, gr, st, hst)
subroutine, public	magnus (hm, namespace, mesh, psi, hpsi, ik, vmagnus, set_phase)
subroutine	vborders (mesh, hm, psi, hpsi)
logical function, public	hamiltonian_elec_has_kick (hm)
subroutine	hamiltonian_elec_set_mass (this, namespace, mass)
	set the effective electron mass, checking whether it was previously redefined. More...
subroutine, public	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...
subroutine, public	hamiltonian_elec_diagonal (hm, mesh, diag, ik)
subroutine	dhamiltonian_elec_apply (hm, namespace, mesh, psib, hpsib, terms, set_bc)
subroutine	dhamiltonian_elec_magnus_apply (hm, namespace, mesh, psib, hpsib, vmagnus)
subroutine, public	dhamiltonian_elec_apply_batch (hm, namespace, mesh, psib, hpsib, terms, set_bc)
subroutine	dhamiltonian_elec_external (this, mesh, psib, vpsib)
subroutine, public	dhamiltonian_elec_apply_single (hm, namespace, mesh, psi, hpsi, ist, ik, terms, set_bc, set_phase)
subroutine	dhamiltonian_elec_magnus_apply_batch (hm, namespace, mesh, psib, hpsib, vmagnus)
subroutine	dh_mgga_terms (hm, mesh, psib, hpsib, lapl_psib, ghost_update)
	Computes the orbital-dependent part of the mGGA potential. More...
subroutine, public	dvmask (mesh, hm, st)
subroutine	zhamiltonian_elec_apply (hm, namespace, mesh, psib, hpsib, terms, set_bc)
subroutine	zhamiltonian_elec_magnus_apply (hm, namespace, mesh, psib, hpsib, vmagnus)
subroutine, public	zhamiltonian_elec_apply_batch (hm, namespace, mesh, psib, hpsib, terms, set_bc)
subroutine	zhamiltonian_elec_external (this, mesh, psib, vpsib)
subroutine, public	zhamiltonian_elec_apply_single (hm, namespace, mesh, psi, hpsi, ist, ik, terms, set_bc, set_phase)
subroutine	zhamiltonian_elec_magnus_apply_batch (hm, namespace, mesh, psib, hpsib, vmagnus)
subroutine	zh_mgga_terms (hm, mesh, psib, hpsib, lapl_psib, ghost_update)
	Computes the orbital-dependent part of the mGGA potential. More...
subroutine, public	zvmask (mesh, hm, st)

Variables
integer, parameter, public	length = 1
integer, parameter, public	velocity = 2

Function/Subroutine Documentation

hamiltonian_elec_init()

subroutine, public hamiltonian_elec_oct_m::hamiltonian_elec_init	(	type(hamiltonian_elec_t), intent(inout), target	hm,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		type(grid_t), intent(inout), target	gr,
		type(ions_t), intent(inout), target	ions,
		type(partner_list_t), intent(inout)	ext_partners,
		type(states_elec_t), intent(inout), target	st,
		integer, intent(in)	theory_level,
		type(xc_t), intent(in), target	xc,
		type(multicomm_t), intent(in)	mc,
		type(kpoints_t), intent(in), target	kpoints,
		logical, intent(in), optional	need_exchange,
		type(xc_photons_t), intent(in), optional, target	xc_photons
	)

Definition at line 328 of file hamiltonian_elec.F90.

hamiltonian_elec_end()

subroutine, public hamiltonian_elec_oct_m::hamiltonian_elec_end

(

type(hamiltonian_elec_t), intent(inout), target

hm

)

Definition at line 767 of file hamiltonian_elec.F90.

hamiltonian_elec_hermitian()

logical function hamiltonian_elec_oct_m::hamiltonian_elec_hermitian ( class(hamiltonian_elec_t), intent(in)  hm )

private

Definition at line 830 of file hamiltonian_elec.F90.

hamiltonian_elec_needs_mgga_term()

pure logical function hamiltonian_elec_oct_m::hamiltonian_elec_needs_mgga_term ( class(hamiltonian_elec_t), intent(in)  hm, integer, intent(in)  terms  )

private

Definition at line 842 of file hamiltonian_elec.F90.

hamiltonian_elec_span()

subroutine hamiltonian_elec_oct_m::hamiltonian_elec_span ( class(hamiltonian_elec_t), intent(inout)  hm, real(real64), dimension(:), intent(in)  delta, real(real64), intent(in)  emin, type(namespace_t), intent(in)  namespace  )

private

Definition at line 863 of file hamiltonian_elec.F90.

hamiltonian_elec_inh_term()

pure logical function, public hamiltonian_elec_oct_m::hamiltonian_elec_inh_term

(

type(hamiltonian_elec_t), intent(in)

hm

)

Definition at line 885 of file hamiltonian_elec.F90.

hamiltonian_elec_set_inh()

subroutine, public hamiltonian_elec_oct_m::hamiltonian_elec_set_inh	(	type(hamiltonian_elec_t), intent(inout)	hm,
		type(states_elec_t), intent(in)	st
	)

Definition at line 893 of file hamiltonian_elec.F90.

hamiltonian_elec_remove_inh()

subroutine, public hamiltonian_elec_oct_m::hamiltonian_elec_remove_inh

(

type(hamiltonian_elec_t), intent(inout)

hm

)

Definition at line 908 of file hamiltonian_elec.F90.

hamiltonian_elec_adjoint()

subroutine, public hamiltonian_elec_oct_m::hamiltonian_elec_adjoint

(

type(hamiltonian_elec_t), intent(inout)

hm

)

Definition at line 922 of file hamiltonian_elec.F90.

hamiltonian_elec_not_adjoint()

subroutine, public hamiltonian_elec_oct_m::hamiltonian_elec_not_adjoint

(

type(hamiltonian_elec_t), intent(inout)

hm

)

Definition at line 939 of file hamiltonian_elec.F90.

hamiltonian_elec_update()

subroutine hamiltonian_elec_oct_m::hamiltonian_elec_update ( class(hamiltonian_elec_t), intent(inout)  this, class(mesh_t), intent(in)  mesh, type(namespace_t), intent(in)  namespace, class(space_t), intent(in)  space, type(partner_list_t), intent(in)  ext_partners, real(real64), intent(in), optional  time  )

private

(re-)build the Hamiltonian for the next application:

Definition at line 957 of file hamiltonian_elec.F90.

hamiltonian_elec_update_pot()

subroutine, public hamiltonian_elec_oct_m::hamiltonian_elec_update_pot	(	type(hamiltonian_elec_t), intent(inout)	this,
		class(mesh_t), intent(in)	mesh,
		logical, intent(in), optional	accumulate
	)

Update the KS potential of the electronic Hamiltonian.

Adds PCM contributions

Adds possible absorbing potential

Definition at line 1184 of file hamiltonian_elec.F90.

hamiltonian_elec_epot_generate()

subroutine, public hamiltonian_elec_oct_m::hamiltonian_elec_epot_generate	(	type(hamiltonian_elec_t), intent(inout)	this,
		type(namespace_t), intent(in)	namespace,
		class(electron_space_t), intent(in)	space,
		type(grid_t), intent(in)	gr,
		type(ions_t), intent(inout), target	ions,
		type(partner_list_t), intent(in)	ext_partners,
		type(states_elec_t), intent(inout)	st,
		real(real64), intent(in), optional	time
	)

Generates the real-space PCM potential due to nuclei which do not change during the SCF calculation.

Local field effects due to static electrostatic potentials (if they were). The laser and the kick are included in subroutine v_ks_hartree (module v_ks).

Definition at line 1284 of file hamiltonian_elec.F90.

hamiltonian_elec_get_time()

real(real64) function, public hamiltonian_elec_oct_m::hamiltonian_elec_get_time

(

type(hamiltonian_elec_t), intent(inout)

this

)

Definition at line 1367 of file hamiltonian_elec.F90.

hamiltonian_elec_apply_packed()

pure logical function, public hamiltonian_elec_oct_m::hamiltonian_elec_apply_packed

(

class(hamiltonian_elec_t), intent(in)

this

)

Definition at line 1375 of file hamiltonian_elec.F90.

zhamiltonian_elec_apply_atom()

subroutine, public hamiltonian_elec_oct_m::zhamiltonian_elec_apply_atom	(	type(hamiltonian_elec_t), intent(in)	hm,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		type(lattice_vectors_t), intent(in)	latt,
		class(species_t), intent(in)	species,
		real(real64), dimension(1:space%dim), intent(in)	pos,
		integer, intent(in)	ia,
		class(mesh_t), intent(in)	mesh,
		complex(real64), dimension(:,:), intent(in)	psi,
		complex(real64), dimension(:,:), intent(out)	vpsi
	)

Parameters

[in]	psi	(grnp_part, hmddim)
[out]	vpsi	(grnp, hmddim)

Definition at line 1384 of file hamiltonian_elec.F90.

hamiltonian_elec_update_with_ext_pot()

subroutine, public hamiltonian_elec_oct_m::hamiltonian_elec_update_with_ext_pot	(	type(hamiltonian_elec_t), intent(inout)	this,
		class(mesh_t), intent(in)	mesh,
		class(space_t), intent(in)	space,
		type(partner_list_t), intent(in)	ext_partners,
		real(real64), dimension(1:2), intent(in)	time,
		real(real64), dimension(1:2), intent(in)	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).

Definition at line 1417 of file hamiltonian_elec.F90.

hamiltonian_elec_needs_current()

logical function, public hamiltonian_elec_oct_m::hamiltonian_elec_needs_current	(	type(hamiltonian_elec_t), intent(in)	hm,
		logical, intent(in)	states_are_real
	)

Definition at line 1608 of file hamiltonian_elec.F90.

zhamiltonian_elec_apply_all()

subroutine, public hamiltonian_elec_oct_m::zhamiltonian_elec_apply_all	(	type(hamiltonian_elec_t), intent(inout)	hm,
		type(namespace_t), intent(in)	namespace,
		type(grid_t), intent(in)	gr,
		type(states_elec_t), intent(inout)	st,
		type(states_elec_t), intent(inout)	hst
	)

Definition at line 1626 of file hamiltonian_elec.F90.

magnus()

subroutine, public hamiltonian_elec_oct_m::magnus	(	type(hamiltonian_elec_t), intent(in)	hm,
		type(namespace_t), intent(in)	namespace,
		class(mesh_t), intent(in)	mesh,
		complex(real64), dimension(:,:), intent(inout), contiguous	psi,
		complex(real64), dimension(:,:), intent(out), contiguous	hpsi,
		integer, intent(in)	ik,
		real(real64), dimension(:, :, :), intent(in)	vmagnus,
		logical, intent(in), optional	set_phase
	)

Parameters

[in]

set_phase

If set to .false. the phase will not be added to the states.

Definition at line 1675 of file hamiltonian_elec.F90.

vborders()

subroutine hamiltonian_elec_oct_m::vborders ( class(mesh_t), intent(in)  mesh, type(hamiltonian_elec_t), intent(in)  hm, complex(real64), dimension(:), intent(in)  psi, complex(real64), dimension(:), intent(inout)  hpsi  )

private

Definition at line 1727 of file hamiltonian_elec.F90.

hamiltonian_elec_has_kick()

logical function, public hamiltonian_elec_oct_m::hamiltonian_elec_has_kick

(

type(hamiltonian_elec_t), intent(in)

hm

)

Definition at line 1747 of file hamiltonian_elec.F90.

hamiltonian_elec_set_mass()

subroutine hamiltonian_elec_oct_m::hamiltonian_elec_set_mass ( class(hamiltonian_elec_t), intent(inout)  this, type(namespace_t), intent(in)  namespace, real(real64), intent(in)  mass  )

private

set the effective electron mass, checking whether it was previously redefined.

Definition at line 1759 of file hamiltonian_elec.F90.

hamiltonian_elec_copy_and_set_phase()

subroutine, public hamiltonian_elec_oct_m::hamiltonian_elec_copy_and_set_phase	(	type(hamiltonian_elec_t), intent(in)	hm,
		type(grid_t), intent(in)	gr,
		type(distributed_t), intent(in)	kpt,
		type(wfs_elec_t), intent(in)	psib,
		type(wfs_elec_t), intent(out)	psib_with_phase
	)

Copy a batch to another batch and apply the Bloch phase to it.

On exist, psib_with_phase is packed If no phase is defined, a packed copy of psib is returned

TODO: This should should probably belong to wfs_elec_t, but cannot due to circular dependencies

Parameters

[in]	kpt	k-point distribution
[in]	psib	Batched wave functions
[out]	psib_with_phase	Batched wave functions with phase applied

Definition at line 1783 of file hamiltonian_elec.F90.

hamiltonian_elec_diagonal()

subroutine, public hamiltonian_elec_oct_m::hamiltonian_elec_diagonal	(	type(hamiltonian_elec_t), intent(in)	hm,
		class(mesh_t), intent(in)	mesh,
		real(real64), dimension(:,:), intent(out), contiguous	diag,
		integer, intent(in)	ik
	)

Parameters

[out]

diag

hpsi(grmeshnp, hmdnspin)

Definition at line 1814 of file hamiltonian_elec.F90.

dhamiltonian_elec_apply()

subroutine hamiltonian_elec_oct_m::dhamiltonian_elec_apply ( class(hamiltonian_elec_t), intent(in)  hm, type(namespace_t), intent(in)  namespace, class(mesh_t), intent(in)  mesh, class(batch_t), intent(inout), target  psib, class(batch_t), intent(inout), target  hpsib, integer, intent(in), optional  terms, logical, intent(in), optional  set_bc  )

private

Parameters

[in]

set_bc

If set to .false. the boundary conditions are assumed to be set previously.

Definition at line 1925 of file hamiltonian_elec.F90.

dhamiltonian_elec_magnus_apply()

subroutine hamiltonian_elec_oct_m::dhamiltonian_elec_magnus_apply ( class(hamiltonian_elec_t), intent(in)  hm, type(namespace_t), intent(in)  namespace, class(mesh_t), intent(in)  mesh, class(batch_t), intent(inout)  psib, class(batch_t), intent(inout)  hpsib, real(real64), dimension(:, :, :), intent(in)  vmagnus  )

private

Definition at line 1954 of file hamiltonian_elec.F90.

dhamiltonian_elec_apply_batch()

subroutine, public hamiltonian_elec_oct_m::dhamiltonian_elec_apply_batch	(	type(hamiltonian_elec_t), intent(in)	hm,
		type(namespace_t), intent(in)	namespace,
		class(mesh_t), intent(in)	mesh,
		type(wfs_elec_t), intent(inout), target	psib,
		type(wfs_elec_t), intent(inout), target	hpsib,
		integer, intent(in), optional	terms,
		logical, intent(in), optional	set_bc
	)

Parameters

[in]

set_bc

If set to .false. the boundary conditions are assumed to be set previously.

Definition at line 1982 of file hamiltonian_elec.F90.

dhamiltonian_elec_external()

subroutine hamiltonian_elec_oct_m::dhamiltonian_elec_external ( type(hamiltonian_elec_t), intent(in)  this, class(mesh_t), intent(in)  mesh, type(wfs_elec_t), intent(in)  psib, type(wfs_elec_t), intent(inout)  vpsib  )

private

Definition at line 2198 of file hamiltonian_elec.F90.

dhamiltonian_elec_apply_single()

subroutine, public hamiltonian_elec_oct_m::dhamiltonian_elec_apply_single	(	type(hamiltonian_elec_t), intent(in)	hm,
		type(namespace_t), intent(in)	namespace,
		class(mesh_t), intent(in)	mesh,
		real(real64), dimension(:,:), intent(inout), target, contiguous	psi,
		real(real64), dimension(:,:), intent(inout), target, contiguous	hpsi,
		integer, intent(in)	ist,
		integer, intent(in)	ik,
		integer, intent(in), optional	terms,
		logical, intent(in), optional	set_bc,
		logical, intent(in), optional	set_phase
	)

Parameters

[in]	ist	the index of the state
[in]	ik	the index of the k-point
[in,out]	psi	(grmeshnp_part, hmddim)
[in,out]	hpsi	(grmeshnp, hmddim)

Definition at line 2247 of file hamiltonian_elec.F90.

dhamiltonian_elec_magnus_apply_batch()

subroutine hamiltonian_elec_oct_m::dhamiltonian_elec_magnus_apply_batch ( type(hamiltonian_elec_t), intent(in)  hm, type(namespace_t), intent(in)  namespace, class(mesh_t), intent(in)  mesh, type(wfs_elec_t), intent(inout)  psib, type(wfs_elec_t), intent(inout)  hpsib, real(real64), dimension(:, :, :), intent(in)  vmagnus  )

private

Definition at line 2281 of file hamiltonian_elec.F90.

dh_mgga_terms()

subroutine hamiltonian_elec_oct_m::dh_mgga_terms ( type(hamiltonian_elec_t), intent(in)  hm, class(mesh_t), intent(in)  mesh, type(wfs_elec_t), intent(inout)  psib, type(wfs_elec_t), intent(inout)  hpsib, type(wfs_elec_t), intent(inout)  lapl_psib, logical, intent(in)  ghost_update  )

private

Computes the orbital-dependent part of the mGGA potential.

This reads as \( L\psi =-\nabla \cdot [\vtau \nabla \psi]\).

It is trivial to show that this operator is self-adjoint. However, this is never the case with finite differences. This is thus reimplemented as L\psi = -1/2(v_\tau \Delta \psi - \psi \Delta[v_\tau] + \Delta [v_\tau \psi]

The same expression was proposed in Richter et al., J. Chem. Phys. 159, 124117 (2023).

Definition at line 2343 of file hamiltonian_elec.F90.

dvmask()

subroutine, public hamiltonian_elec_oct_m::dvmask	(	class(mesh_t), intent(in)	mesh,
		type(hamiltonian_elec_t), intent(in)	hm,
		type(states_elec_t), intent(inout)	st
	)

Definition at line 2394 of file hamiltonian_elec.F90.

zhamiltonian_elec_apply()

subroutine hamiltonian_elec_oct_m::zhamiltonian_elec_apply ( class(hamiltonian_elec_t), intent(in)  hm, type(namespace_t), intent(in)  namespace, class(mesh_t), intent(in)  mesh, class(batch_t), intent(inout), target  psib, class(batch_t), intent(inout), target  hpsib, integer, intent(in), optional  terms, logical, intent(in), optional  set_bc  )

private

Parameters

[in]

set_bc

If set to .false. the boundary conditions are assumed to be set previously.

Definition at line 2498 of file hamiltonian_elec.F90.

zhamiltonian_elec_magnus_apply()

subroutine hamiltonian_elec_oct_m::zhamiltonian_elec_magnus_apply ( class(hamiltonian_elec_t), intent(in)  hm, type(namespace_t), intent(in)  namespace, class(mesh_t), intent(in)  mesh, class(batch_t), intent(inout)  psib, class(batch_t), intent(inout)  hpsib, real(real64), dimension(:, :, :), intent(in)  vmagnus  )

private

Definition at line 2527 of file hamiltonian_elec.F90.

zhamiltonian_elec_apply_batch()

subroutine, public hamiltonian_elec_oct_m::zhamiltonian_elec_apply_batch	(	type(hamiltonian_elec_t), intent(in)	hm,
		type(namespace_t), intent(in)	namespace,
		class(mesh_t), intent(in)	mesh,
		type(wfs_elec_t), intent(inout), target	psib,
		type(wfs_elec_t), intent(inout), target	hpsib,
		integer, intent(in), optional	terms,
		logical, intent(in), optional	set_bc
	)

Parameters

[in]

set_bc

If set to .false. the boundary conditions are assumed to be set previously.

Definition at line 2555 of file hamiltonian_elec.F90.

zhamiltonian_elec_external()

subroutine hamiltonian_elec_oct_m::zhamiltonian_elec_external ( type(hamiltonian_elec_t), intent(in)  this, class(mesh_t), intent(in)  mesh, type(wfs_elec_t), intent(in)  psib, type(wfs_elec_t), intent(inout)  vpsib  )

private

Definition at line 2771 of file hamiltonian_elec.F90.

zhamiltonian_elec_apply_single()

subroutine, public hamiltonian_elec_oct_m::zhamiltonian_elec_apply_single	(	type(hamiltonian_elec_t), intent(in)	hm,
		type(namespace_t), intent(in)	namespace,
		class(mesh_t), intent(in)	mesh,
		complex(real64), dimension(:,:), intent(inout), target, contiguous	psi,
		complex(real64), dimension(:,:), intent(inout), target, contiguous	hpsi,
		integer, intent(in)	ist,
		integer, intent(in)	ik,
		integer, intent(in), optional	terms,
		logical, intent(in), optional	set_bc,
		logical, intent(in), optional	set_phase
	)

Parameters

[in]	ist	the index of the state
[in]	ik	the index of the k-point
[in,out]	psi	(grmeshnp_part, hmddim)
[in,out]	hpsi	(grmeshnp, hmddim)

Definition at line 2820 of file hamiltonian_elec.F90.

zhamiltonian_elec_magnus_apply_batch()

subroutine hamiltonian_elec_oct_m::zhamiltonian_elec_magnus_apply_batch ( type(hamiltonian_elec_t), intent(in)  hm, type(namespace_t), intent(in)  namespace, class(mesh_t), intent(in)  mesh, type(wfs_elec_t), intent(inout)  psib, type(wfs_elec_t), intent(inout)  hpsib, real(real64), dimension(:, :, :), intent(in)  vmagnus  )

private

Definition at line 2854 of file hamiltonian_elec.F90.

zh_mgga_terms()

subroutine hamiltonian_elec_oct_m::zh_mgga_terms ( type(hamiltonian_elec_t), intent(in)  hm, class(mesh_t), intent(in)  mesh, type(wfs_elec_t), intent(inout)  psib, type(wfs_elec_t), intent(inout)  hpsib, type(wfs_elec_t), intent(inout)  lapl_psib, logical, intent(in)  ghost_update  )

private

Computes the orbital-dependent part of the mGGA potential.

This reads as \( L\psi =-\nabla \cdot [\vtau \nabla \psi]\).

It is trivial to show that this operator is self-adjoint. However, this is never the case with finite differences. This is thus reimplemented as L\psi = -1/2(v_\tau \Delta \psi - \psi \Delta[v_\tau] + \Delta [v_\tau \psi]

The same expression was proposed in Richter et al., J. Chem. Phys. 159, 124117 (2023).

Definition at line 2916 of file hamiltonian_elec.F90.

zvmask()

subroutine, public hamiltonian_elec_oct_m::zvmask	(	class(mesh_t), intent(in)	mesh,
		type(hamiltonian_elec_t), intent(in)	hm,
		type(states_elec_t), intent(inout)	st
	)

Definition at line 2967 of file hamiltonian_elec.F90.

Variable Documentation

length

integer, parameter, public hamiltonian_elec_oct_m::length = 1

Definition at line 320 of file hamiltonian_elec.F90.

velocity

integer, parameter, public hamiltonian_elec_oct_m::velocity = 2

Definition at line 320 of file hamiltonian_elec.F90.