Data Fields
integer(c_int)	n_occ

integer(c_int)	n_atoms

real(c_double)	energy_diff

real(c_double)	evoltfactor

real(c_double)	e_charge

real(c_double)	boltzmann

real(c_double)	h_bar

integer(c_int)	iscf

integer(c_int)	method

integer(c_int)	qt_formalism

integer(c_int)	injection_method

integer(c_int)	rlaxis_integration_method

integer(c_int)	linear_solver

integer(c_int)	matrixinv_method

integer(c_int)	transport_neutral

integer(c_int)	num_pole

integer(c_int)	ordering

integer(c_int)	row_ordering

integer(c_int)	verbosity

integer(c_int)	pexsi_np_symb_fact

integer(c_int)	n_kpoint

integer(c_int)	num_interval

integer(c_int)	num_contacts

integer(c_int)	stride_contacts

integer(c_int)	tasks_per_energy_point

integer(c_int)	tasks_per_pole

integer(c_int)	gpus_per_point

integer(c_int)	n_points_beyn

integer(c_int)	ncrc_beyn

integer(c_int)	tasks_per_integration_point

integer(c_int)	n_points_inv

integer(c_int), dimension(2)	cutout

real(c_double)	colzero_threshold

real(c_double)	eps_limit

real(c_double)	eps_limit_cc

real(c_double)	eps_decay

real(c_double)	eps_singularity_curvatures

real(c_double)	eps_mu

real(c_double)	eps_eigval_degen

real(c_double)	eps_fermi

real(c_double)	energy_interval

real(c_double)	min_interval

real(c_double)	temperature

real(c_double)	dens_mixing

real(c_double)	n_rand_beyn

real(c_double)	n_rand_cc_beyn

real(c_double)	svd_cutoff

type(c_ptr)	contacts_data

type(c_ptr)	nsgf

type(c_ptr)	zeff

logical(c_bool)	obc_equilibrium

logical(c_bool)	extra_scf

Detailed Description

Definition at line 40 of file transport_env_types.F.

Field Documentation

◆ n_occ

integer(c_int) transport_env_types::cp2k_transport_parameters::n_occ

Definition at line 41 of file transport_env_types.F.

◆ n_atoms

integer(c_int) transport_env_types::cp2k_transport_parameters::n_atoms

Definition at line 42 of file transport_env_types.F.

◆ energy_diff

real(c_double) transport_env_types::cp2k_transport_parameters::energy_diff

Definition at line 43 of file transport_env_types.F.

◆ evoltfactor

real(c_double) transport_env_types::cp2k_transport_parameters::evoltfactor

Definition at line 44 of file transport_env_types.F.

◆ e_charge

real(c_double) transport_env_types::cp2k_transport_parameters::e_charge

Definition at line 45 of file transport_env_types.F.

◆ boltzmann

real(c_double) transport_env_types::cp2k_transport_parameters::boltzmann

Definition at line 46 of file transport_env_types.F.

◆ h_bar

real(c_double) transport_env_types::cp2k_transport_parameters::h_bar

Definition at line 47 of file transport_env_types.F.

◆ iscf

integer(c_int) transport_env_types::cp2k_transport_parameters::iscf

Definition at line 48 of file transport_env_types.F.

◆ method

integer(c_int) transport_env_types::cp2k_transport_parameters::method

Definition at line 49 of file transport_env_types.F.

◆ qt_formalism

integer(c_int) transport_env_types::cp2k_transport_parameters::qt_formalism

Definition at line 50 of file transport_env_types.F.

◆ injection_method

integer(c_int) transport_env_types::cp2k_transport_parameters::injection_method

Definition at line 51 of file transport_env_types.F.

◆ rlaxis_integration_method

integer(c_int) transport_env_types::cp2k_transport_parameters::rlaxis_integration_method

Definition at line 52 of file transport_env_types.F.

◆ linear_solver

integer(c_int) transport_env_types::cp2k_transport_parameters::linear_solver

Definition at line 53 of file transport_env_types.F.

◆ matrixinv_method

integer(c_int) transport_env_types::cp2k_transport_parameters::matrixinv_method

Definition at line 54 of file transport_env_types.F.

◆ transport_neutral

integer(c_int) transport_env_types::cp2k_transport_parameters::transport_neutral

Definition at line 55 of file transport_env_types.F.

◆ num_pole

integer(c_int) transport_env_types::cp2k_transport_parameters::num_pole

Definition at line 56 of file transport_env_types.F.

◆ ordering

integer(c_int) transport_env_types::cp2k_transport_parameters::ordering

Definition at line 57 of file transport_env_types.F.

◆ row_ordering

integer(c_int) transport_env_types::cp2k_transport_parameters::row_ordering

Definition at line 58 of file transport_env_types.F.

◆ verbosity

integer(c_int) transport_env_types::cp2k_transport_parameters::verbosity

Definition at line 59 of file transport_env_types.F.

◆ pexsi_np_symb_fact

integer(c_int) transport_env_types::cp2k_transport_parameters::pexsi_np_symb_fact

Definition at line 60 of file transport_env_types.F.

◆ n_kpoint

integer(c_int) transport_env_types::cp2k_transport_parameters::n_kpoint

Definition at line 61 of file transport_env_types.F.

◆ num_interval

integer(c_int) transport_env_types::cp2k_transport_parameters::num_interval

Definition at line 62 of file transport_env_types.F.

◆ num_contacts

integer(c_int) transport_env_types::cp2k_transport_parameters::num_contacts

Definition at line 63 of file transport_env_types.F.

◆ stride_contacts

integer(c_int) transport_env_types::cp2k_transport_parameters::stride_contacts

Definition at line 64 of file transport_env_types.F.

◆ tasks_per_energy_point

integer(c_int) transport_env_types::cp2k_transport_parameters::tasks_per_energy_point

Definition at line 65 of file transport_env_types.F.

◆ tasks_per_pole

integer(c_int) transport_env_types::cp2k_transport_parameters::tasks_per_pole

Definition at line 66 of file transport_env_types.F.

◆ gpus_per_point

integer(c_int) transport_env_types::cp2k_transport_parameters::gpus_per_point

Definition at line 67 of file transport_env_types.F.

◆ n_points_beyn

integer(c_int) transport_env_types::cp2k_transport_parameters::n_points_beyn

Definition at line 68 of file transport_env_types.F.

◆ ncrc_beyn

integer(c_int) transport_env_types::cp2k_transport_parameters::ncrc_beyn

Definition at line 69 of file transport_env_types.F.

◆ tasks_per_integration_point

integer(c_int) transport_env_types::cp2k_transport_parameters::tasks_per_integration_point

Definition at line 70 of file transport_env_types.F.

◆ n_points_inv

integer(c_int) transport_env_types::cp2k_transport_parameters::n_points_inv

Definition at line 71 of file transport_env_types.F.

◆ cutout

integer(c_int), dimension(2) transport_env_types::cp2k_transport_parameters::cutout

Definition at line 72 of file transport_env_types.F.

◆ colzero_threshold

real(c_double) transport_env_types::cp2k_transport_parameters::colzero_threshold

Definition at line 73 of file transport_env_types.F.

◆ eps_limit

real(c_double) transport_env_types::cp2k_transport_parameters::eps_limit

Definition at line 74 of file transport_env_types.F.

◆ eps_limit_cc

real(c_double) transport_env_types::cp2k_transport_parameters::eps_limit_cc

Definition at line 75 of file transport_env_types.F.

◆ eps_decay

real(c_double) transport_env_types::cp2k_transport_parameters::eps_decay

Definition at line 76 of file transport_env_types.F.

◆ eps_singularity_curvatures

real(c_double) transport_env_types::cp2k_transport_parameters::eps_singularity_curvatures

Definition at line 77 of file transport_env_types.F.

◆ eps_mu

real(c_double) transport_env_types::cp2k_transport_parameters::eps_mu

Definition at line 78 of file transport_env_types.F.

◆ eps_eigval_degen

real(c_double) transport_env_types::cp2k_transport_parameters::eps_eigval_degen

Definition at line 79 of file transport_env_types.F.

◆ eps_fermi

real(c_double) transport_env_types::cp2k_transport_parameters::eps_fermi

Definition at line 80 of file transport_env_types.F.

◆ energy_interval

real(c_double) transport_env_types::cp2k_transport_parameters::energy_interval

Definition at line 81 of file transport_env_types.F.

◆ min_interval

real(c_double) transport_env_types::cp2k_transport_parameters::min_interval

Definition at line 82 of file transport_env_types.F.

◆ temperature

real(c_double) transport_env_types::cp2k_transport_parameters::temperature

Definition at line 83 of file transport_env_types.F.

◆ dens_mixing

real(c_double) transport_env_types::cp2k_transport_parameters::dens_mixing

Definition at line 84 of file transport_env_types.F.

◆ n_rand_beyn

real(c_double) transport_env_types::cp2k_transport_parameters::n_rand_beyn

Definition at line 85 of file transport_env_types.F.

◆ n_rand_cc_beyn

real(c_double) transport_env_types::cp2k_transport_parameters::n_rand_cc_beyn

Definition at line 86 of file transport_env_types.F.

◆ svd_cutoff

real(c_double) transport_env_types::cp2k_transport_parameters::svd_cutoff

Definition at line 87 of file transport_env_types.F.

◆ contacts_data

type(c_ptr) transport_env_types::cp2k_transport_parameters::contacts_data

Definition at line 88 of file transport_env_types.F.

◆ nsgf

type(c_ptr) transport_env_types::cp2k_transport_parameters::nsgf

Definition at line 89 of file transport_env_types.F.

◆ zeff

type(c_ptr) transport_env_types::cp2k_transport_parameters::zeff

Definition at line 90 of file transport_env_types.F.

◆ obc_equilibrium

logical(c_bool) transport_env_types::cp2k_transport_parameters::obc_equilibrium

Definition at line 91 of file transport_env_types.F.

◆ extra_scf

logical(c_bool) transport_env_types::cp2k_transport_parameters::extra_scf

Definition at line 92 of file transport_env_types.F.

The documentation for this type was generated from the following file:

transport_env_types.F

Data Fields