cp_control_types::rtp_control_type Type Reference

Data Fields
logical	converged = .FALSE.
real(kind=dp)	eps_ener = 0.0_dp
integer	max_iter = 0
integer	mat_exp = 0
integer	propagator = 0
logical	fixed_ions = .FALSE.
integer	initial_wfn = 0
real(dp)	eps_exp = 0.0_dp
logical	initial_step = .FALSE.
logical	hfx_redistribute = .FALSE.
integer	aspc_order = 0
integer	sc_check_start = 0
logical	apply_wfn_mix_init_restart = .FALSE.
logical	apply_delta_pulse = .FALSE.
logical	apply_delta_pulse_mag = .FALSE.
logical	periodic = .FALSE.
logical	linear_scaling = .FALSE.
logical	write_restart = .FALSE.
integer	mcweeny_max_iter = 0
integer	acc_ref = 0
real(dp)	mcweeny_eps = 0.0_dp
integer, dimension(3)	delta_pulse_direction = 0
real(kind=dp)	delta_pulse_scale = 0.0_dp
logical	velocity_gauge = .FALSE.
real(kind=dp), dimension(3)	field = 0.0_dp
real(kind=dp), dimension(3)	vec_pot = 0.0_dp
logical	nl_gauge_transform = .FALSE.
logical	is_proj_mo = .FALSE.
type(proj_mo_p_type), dimension(:), pointer	proj_mo_list => NULL()

Detailed Description

Definition at line 65 of file cp_control_types.F.

Field Documentation

converged

logical cp_control_types::rtp_control_type::converged = .FALSE.

Definition at line 66 of file cp_control_types.F.

eps_ener

real(kind=dp) cp_control_types::rtp_control_type::eps_ener = 0.0_dp

Definition at line 67 of file cp_control_types.F.

max_iter

integer cp_control_types::rtp_control_type::max_iter = 0

Definition at line 68 of file cp_control_types.F.

mat_exp

integer cp_control_types::rtp_control_type::mat_exp = 0

Definition at line 69 of file cp_control_types.F.

propagator

integer cp_control_types::rtp_control_type::propagator = 0

Definition at line 70 of file cp_control_types.F.

fixed_ions

logical cp_control_types::rtp_control_type::fixed_ions = .FALSE.

Definition at line 71 of file cp_control_types.F.

initial_wfn

integer cp_control_types::rtp_control_type::initial_wfn = 0

Definition at line 72 of file cp_control_types.F.

eps_exp

real(dp) cp_control_types::rtp_control_type::eps_exp = 0.0_dp

Definition at line 73 of file cp_control_types.F.

initial_step

logical cp_control_types::rtp_control_type::initial_step = .FALSE.

Definition at line 74 of file cp_control_types.F.

hfx_redistribute

logical cp_control_types::rtp_control_type::hfx_redistribute = .FALSE.

Definition at line 75 of file cp_control_types.F.

aspc_order

integer cp_control_types::rtp_control_type::aspc_order = 0

Definition at line 76 of file cp_control_types.F.

sc_check_start

integer cp_control_types::rtp_control_type::sc_check_start = 0

Definition at line 77 of file cp_control_types.F.

apply_wfn_mix_init_restart

logical cp_control_types::rtp_control_type::apply_wfn_mix_init_restart = .FALSE.

Definition at line 78 of file cp_control_types.F.

apply_delta_pulse

logical cp_control_types::rtp_control_type::apply_delta_pulse = .FALSE.

Definition at line 79 of file cp_control_types.F.

apply_delta_pulse_mag

logical cp_control_types::rtp_control_type::apply_delta_pulse_mag = .FALSE.

Definition at line 80 of file cp_control_types.F.

periodic

logical cp_control_types::rtp_control_type::periodic = .FALSE.

Definition at line 81 of file cp_control_types.F.

linear_scaling

logical cp_control_types::rtp_control_type::linear_scaling = .FALSE.

Definition at line 82 of file cp_control_types.F.

write_restart

logical cp_control_types::rtp_control_type::write_restart = .FALSE.

Definition at line 83 of file cp_control_types.F.

mcweeny_max_iter

integer cp_control_types::rtp_control_type::mcweeny_max_iter = 0

Definition at line 84 of file cp_control_types.F.

acc_ref

integer cp_control_types::rtp_control_type::acc_ref = 0

Definition at line 85 of file cp_control_types.F.

mcweeny_eps

real(dp) cp_control_types::rtp_control_type::mcweeny_eps = 0.0_dp

Definition at line 86 of file cp_control_types.F.

delta_pulse_direction

integer, dimension(3) cp_control_types::rtp_control_type::delta_pulse_direction = 0

Definition at line 87 of file cp_control_types.F.

delta_pulse_scale

real(kind=dp) cp_control_types::rtp_control_type::delta_pulse_scale = 0.0_dp

Definition at line 88 of file cp_control_types.F.

velocity_gauge

logical cp_control_types::rtp_control_type::velocity_gauge = .FALSE.

Definition at line 89 of file cp_control_types.F.

field

real(kind=dp), dimension(3) cp_control_types::rtp_control_type::field = 0.0_dp

Definition at line 90 of file cp_control_types.F.

vec_pot

real(kind=dp), dimension(3) cp_control_types::rtp_control_type::vec_pot = 0.0_dp

Definition at line 91 of file cp_control_types.F.

nl_gauge_transform

logical cp_control_types::rtp_control_type::nl_gauge_transform = .FALSE.

Definition at line 92 of file cp_control_types.F.

is_proj_mo

logical cp_control_types::rtp_control_type::is_proj_mo = .FALSE.

Definition at line 93 of file cp_control_types.F.

proj_mo_list

type(proj_mo_p_type), dimension(:), pointer cp_control_types::rtp_control_type::proj_mo_list => NULL()

Definition at line 94 of file cp_control_types.F.

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

• cp_control_types.F