hamiltonian_elec_base.F90 File Reference

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Modules
module	hamiltonian_elec_base_oct_m

Data Types
type	hamiltonian_elec_base_oct_m::hamiltonian_elec_base_t
	The basic Hamiltonian for electronic system. More...

Functions/Subroutines
subroutine	hamiltonian_elec_base_oct_m::hamiltonian_elec_base_init (this, nspin, mass, rashba_coupling)
	initialize the hamiltonian_elec_base_t object More...
subroutine	hamiltonian_elec_base_oct_m::hamiltonian_elec_base_end (this)
	Finalizer for hamiltonian_elec_base_t. More...
subroutine	hamiltonian_elec_base_oct_m::hamiltonian_elec_base_clear (this, np)
	This functions sets to zero all fields that are currently allocated. More...
subroutine	hamiltonian_elec_base_oct_m::hamiltonian_elec_base_allocate (this, mesh, field, complex_potential)
	This function ensures that the corresponding field is allocated. More...
subroutine	hamiltonian_elec_base_oct_m::hamiltonian_elec_base_update_magnetic_terms (this, mesh, gyromagnetic_ratio, ispin)
	update the magnetic terms of the hamiltonian_elec_base_t. More...
subroutine	hamiltonian_elec_base_oct_m::hamiltonian_elec_base_accel_copy_pot (this, mesh, vtau)
	copy the potential to the acceleration device buffer More...
logical pure function	hamiltonian_elec_base_oct_m::hamiltonian_elec_base_has_magnetic (this)
	return .true. if the Hamiltonian contains any magnetic field More...
logical pure function	hamiltonian_elec_base_oct_m::hamiltonian_elec_base_has_zeeman (this)
	return .true. of the Hamiltonian contains a zeeman term More...
logical pure function	hamiltonian_elec_base_oct_m::hamiltonian_elec_base_has_vector_potential (this)
	return .true. of the Hamiltonian contains any vector potential More...
subroutine	hamiltonian_elec_base_oct_m::hamiltonian_elec_base_rashba (this, mesh, der, std, psib, vpsib)
subroutine	hamiltonian_elec_base_oct_m::dhamiltonian_elec_base_local (this, mesh, std, ispin, psib, vpsib, async)
	apply the local potential (stored in the hamiltonian) to the states More...
subroutine, public	hamiltonian_elec_base_oct_m::dhamiltonian_elec_base_local_sub (potential, mesh, std, ispin, psib, vpsib, Impotential, potential_accel, impotential_accel, async)
	apply a local potential to a set of states More...
subroutine	hamiltonian_elec_base_oct_m::dhamiltonian_elec_base_magnetic (this, mesh, der, std, ep, ispin, psib, vpsib)
	apply magnetic terms form the Hamiltonian to the wave functions More...
subroutine	hamiltonian_elec_base_oct_m::zhamiltonian_elec_base_local (this, mesh, std, ispin, psib, vpsib, async)
	apply the local potential (stored in the hamiltonian) to the states More...
subroutine, public	hamiltonian_elec_base_oct_m::zhamiltonian_elec_base_local_sub (potential, mesh, std, ispin, psib, vpsib, Impotential, potential_accel, impotential_accel, async)
	apply a local potential to a set of states More...
subroutine	hamiltonian_elec_base_oct_m::zhamiltonian_elec_base_magnetic (this, mesh, der, std, ep, ispin, psib, vpsib)
	apply magnetic terms form the Hamiltonian to the wave functions More...

Variables
integer, parameter, public	hamiltonian_elec_base_oct_m::term_all = HUGE(1)
integer, parameter, public	hamiltonian_elec_base_oct_m::term_kinetic = 1
integer, parameter, public	hamiltonian_elec_base_oct_m::term_local_potential = 2
integer, parameter, public	hamiltonian_elec_base_oct_m::term_non_local_potential = 4
integer, parameter, public	hamiltonian_elec_base_oct_m::term_others = 8
integer, parameter, public	hamiltonian_elec_base_oct_m::term_local_external = 16
integer, parameter, public	hamiltonian_elec_base_oct_m::term_mgga = 32
integer, parameter, public	hamiltonian_elec_base_oct_m::term_dft_u = 64
integer, parameter, public	hamiltonian_elec_base_oct_m::term_rdmft_occ = 128
integer, parameter, public	hamiltonian_elec_base_oct_m::field_potential = 1
integer, parameter, public	hamiltonian_elec_base_oct_m::field_vector_potential = 2
integer, parameter, public	hamiltonian_elec_base_oct_m::field_uniform_vector_potential = 4
integer, parameter, public	hamiltonian_elec_base_oct_m::field_uniform_magnetic_field = 8
integer, parameter, public	hamiltonian_elec_base_oct_m::field_magnetic_field = 16