ct_types::ct_step_env_type Type Reference

Data Fields
logical	use_occ_orbs = .FALSE.
logical	use_virt_orbs = .FALSE.
logical	occ_orbs_orthogonal = .FALSE.
logical	virt_orbs_orthogonal = .FALSE.
integer	tensor_type = 0
logical	neglect_quadratic_term = .FALSE.
logical	update_p = .FALSE.
logical	update_q = .FALSE.
logical	calculate_energy_corr = .FALSE.
integer	conjugator = 0
logical	pp_preconditioner_full = .FALSE.
logical	qq_preconditioner_full = .FALSE.
real(kind=dp)	eps_convergence = 0.0_dp
real(kind=dp)	eps_filter = 0.0_dp
integer	max_iter = 0
logical	converged = .FALSE.
integer	order_lanczos = 0
real(kind=dp)	eps_lancsoz = 0.0_dp
integer	max_iter_lanczos = 0
real(kind=dp)	energy_correction = 0.0_dp
type(dbcsr_type), pointer	p_index_up => NULL()
type(dbcsr_type), pointer	p_index_down => NULL()
type(dbcsr_type), pointer	q_index_up => NULL()
type(dbcsr_type), pointer	q_index_down => NULL()
type(dbcsr_type), pointer	matrix_ks => NULL()
type(dbcsr_type), pointer	matrix_p => NULL()
type(dbcsr_type), pointer	matrix_t => NULL()
type(dbcsr_type), pointer	matrix_v => NULL()
type(dbcsr_type), pointer	matrix_qp_template => NULL()
type(dbcsr_type), pointer	matrix_pq_template => NULL()
type(dbcsr_type), pointer	matrix_x_guess => NULL()
type(dbcsr_type)	matrix_x
type(dbcsr_type)	matrix_res
type(mp_para_env_type), pointer	para_env => NULL()
type(cp_blacs_env_type), pointer	blacs_env => NULL()

Detailed Description

Definition at line 37 of file ct_types.F.

Field Documentation

use_occ_orbs

logical ct_types::ct_step_env_type::use_occ_orbs = .FALSE.

Definition at line 42 of file ct_types.F.

use_virt_orbs

logical ct_types::ct_step_env_type::use_virt_orbs = .FALSE.

Definition at line 42 of file ct_types.F.

occ_orbs_orthogonal

logical ct_types::ct_step_env_type::occ_orbs_orthogonal = .FALSE.

Definition at line 43 of file ct_types.F.

virt_orbs_orthogonal

logical ct_types::ct_step_env_type::virt_orbs_orthogonal = .FALSE.

Definition at line 43 of file ct_types.F.

tensor_type

integer ct_types::ct_step_env_type::tensor_type = 0

Definition at line 46 of file ct_types.F.

neglect_quadratic_term

logical ct_types::ct_step_env_type::neglect_quadratic_term = .FALSE.

Definition at line 48 of file ct_types.F.

update_p

logical ct_types::ct_step_env_type::update_p = .FALSE.

Definition at line 50 of file ct_types.F.

update_q

logical ct_types::ct_step_env_type::update_q = .FALSE.

Definition at line 50 of file ct_types.F.

calculate_energy_corr

logical ct_types::ct_step_env_type::calculate_energy_corr = .FALSE.

Definition at line 50 of file ct_types.F.

conjugator

integer ct_types::ct_step_env_type::conjugator = 0

Definition at line 52 of file ct_types.F.

pp_preconditioner_full

logical ct_types::ct_step_env_type::pp_preconditioner_full = .FALSE.

Definition at line 55 of file ct_types.F.

qq_preconditioner_full

logical ct_types::ct_step_env_type::qq_preconditioner_full = .FALSE.

Definition at line 55 of file ct_types.F.

eps_convergence

real(kind=dp) ct_types::ct_step_env_type::eps_convergence = 0.0_dp

Definition at line 58 of file ct_types.F.

eps_filter

real(kind=dp) ct_types::ct_step_env_type::eps_filter = 0.0_dp

Definition at line 59 of file ct_types.F.

max_iter

integer ct_types::ct_step_env_type::max_iter = 0

Definition at line 60 of file ct_types.F.

converged

logical ct_types::ct_step_env_type::converged = .FALSE.

Definition at line 62 of file ct_types.F.

order_lanczos

integer ct_types::ct_step_env_type::order_lanczos = 0

Definition at line 63 of file ct_types.F.

eps_lancsoz

real(kind=dp) ct_types::ct_step_env_type::eps_lancsoz = 0.0_dp

Definition at line 64 of file ct_types.F.

max_iter_lanczos

integer ct_types::ct_step_env_type::max_iter_lanczos = 0

Definition at line 65 of file ct_types.F.

energy_correction

real(kind=dp) ct_types::ct_step_env_type::energy_correction = 0.0_dp

Definition at line 67 of file ct_types.F.

p_index_up

type(dbcsr_type), pointer ct_types::ct_step_env_type::p_index_up => NULL()

Definition at line 95 of file ct_types.F.

p_index_down

type(dbcsr_type), pointer ct_types::ct_step_env_type::p_index_down => NULL()

Definition at line 96 of file ct_types.F.

q_index_up

type(dbcsr_type), pointer ct_types::ct_step_env_type::q_index_up => NULL()

Definition at line 97 of file ct_types.F.

q_index_down

type(dbcsr_type), pointer ct_types::ct_step_env_type::q_index_down => NULL()

Definition at line 98 of file ct_types.F.

matrix_ks

type(dbcsr_type), pointer ct_types::ct_step_env_type::matrix_ks => NULL()

Definition at line 101 of file ct_types.F.

matrix_p

type(dbcsr_type), pointer ct_types::ct_step_env_type::matrix_p => NULL()

Definition at line 103 of file ct_types.F.

matrix_t

type(dbcsr_type), pointer ct_types::ct_step_env_type::matrix_t => NULL()

Definition at line 105 of file ct_types.F.

matrix_v

type(dbcsr_type), pointer ct_types::ct_step_env_type::matrix_v => NULL()

Definition at line 107 of file ct_types.F.

matrix_qp_template

type(dbcsr_type), pointer ct_types::ct_step_env_type::matrix_qp_template => NULL()

Definition at line 111 of file ct_types.F.

matrix_pq_template

type(dbcsr_type), pointer ct_types::ct_step_env_type::matrix_pq_template => NULL()

Definition at line 112 of file ct_types.F.

matrix_x_guess

type(dbcsr_type), pointer ct_types::ct_step_env_type::matrix_x_guess => NULL()

Definition at line 117 of file ct_types.F.

matrix_x

type(dbcsr_type) ct_types::ct_step_env_type::matrix_x

Definition at line 120 of file ct_types.F.

matrix_res

type(dbcsr_type) ct_types::ct_step_env_type::matrix_res

Definition at line 122 of file ct_types.F.

para_env

type(mp_para_env_type), pointer ct_types::ct_step_env_type::para_env => NULL()

Definition at line 124 of file ct_types.F.

blacs_env

type(cp_blacs_env_type), pointer ct_types::ct_step_env_type::blacs_env => NULL()

Definition at line 125 of file ct_types.F.

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

• ct_types.F