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lri_environment_types::lri_environment_type Type Reference

Data Fields

integer lri_overlap_inv
 
logical debug
 
logical use_shg_integrals
 
real(kind=dp) cond_max
 
real(kind=dp) delta
 
real(kind=dp) eps_o3_int
 
type(gto_basis_set_p_type), dimension(:), pointer orb_basis
 
type(gto_basis_set_p_type), dimension(:), pointer ri_basis
 
type(neighbor_list_set_p_type), dimension(:), pointer soo_list
 
type(neighbor_list_set_p_type), dimension(:), pointer saa_list
 
type(neighbor_list_set_p_type), dimension(:), pointer soa_list
 
type(lri_list_type), pointer lri_ints
 
type(lri_ppl_int_type), pointer lri_ppl_ints
 
type(lri_list_type), pointer lri_ints_rho
 
type(lri_bas_type), dimension(:), pointer bas_prop
 
type(lri_clebsch_gordon_type), pointer cg_shg
 
type(dbcsr_p_type), dimension(:), pointer ob_smat
 
logical statistics
 
type(stat_type) stat
 
logical exact_1c_terms
 
logical ppl_ri
 
logical store_integrals
 
logical distant_pair_approximation
 
character(len=10) distant_pair_method
 
real(kind=dp) r_in
 
real(kind=dp) r_out
 
real(kind=dp), dimension(:), pointer aradius
 
type(wbas_type), dimension(:), pointer wbas
 
type(wmat_type), dimension(:, :), pointer wmat
 
type(dbcsr_p_type), dimension(:), pointer ri_smat
 
type(dbcsr_p_type), dimension(:), pointer ri_sinv
 
type(ri_fit_type), pointer ri_fit
 
character(len=10) ri_sinv_app
 
type(o3c_container_type), pointer o3c
 

Detailed Description

Definition at line 269 of file lri_environment_types.F.

Field Documentation

◆ lri_overlap_inv

integer lri_environment_types::lri_environment_type::lri_overlap_inv

Definition at line 271 of file lri_environment_types.F.

◆ debug

logical lri_environment_types::lri_environment_type::debug

Definition at line 273 of file lri_environment_types.F.

◆ use_shg_integrals

logical lri_environment_types::lri_environment_type::use_shg_integrals

Definition at line 275 of file lri_environment_types.F.

◆ cond_max

real(kind=dp) lri_environment_types::lri_environment_type::cond_max

Definition at line 278 of file lri_environment_types.F.

◆ delta

real(kind=dp) lri_environment_types::lri_environment_type::delta

Definition at line 280 of file lri_environment_types.F.

◆ eps_o3_int

real(kind=dp) lri_environment_types::lri_environment_type::eps_o3_int

Definition at line 282 of file lri_environment_types.F.

◆ orb_basis

type(gto_basis_set_p_type), dimension(:), pointer lri_environment_types::lri_environment_type::orb_basis

Definition at line 284 of file lri_environment_types.F.

◆ ri_basis

type(gto_basis_set_p_type), dimension(:), pointer lri_environment_types::lri_environment_type::ri_basis

Definition at line 286 of file lri_environment_types.F.

◆ soo_list

type(neighbor_list_set_p_type), dimension(:), pointer lri_environment_types::lri_environment_type::soo_list

Definition at line 288 of file lri_environment_types.F.

◆ saa_list

type(neighbor_list_set_p_type), dimension(:), pointer lri_environment_types::lri_environment_type::saa_list

Definition at line 289 of file lri_environment_types.F.

◆ soa_list

type(neighbor_list_set_p_type), dimension(:), pointer lri_environment_types::lri_environment_type::soa_list

Definition at line 290 of file lri_environment_types.F.

◆ lri_ints

type(lri_list_type), pointer lri_environment_types::lri_environment_type::lri_ints

Definition at line 292 of file lri_environment_types.F.

◆ lri_ppl_ints

type(lri_ppl_int_type), pointer lri_environment_types::lri_environment_type::lri_ppl_ints

Definition at line 294 of file lri_environment_types.F.

◆ lri_ints_rho

type(lri_list_type), pointer lri_environment_types::lri_environment_type::lri_ints_rho

Definition at line 296 of file lri_environment_types.F.

◆ bas_prop

type(lri_bas_type), dimension(:), pointer lri_environment_types::lri_environment_type::bas_prop

Definition at line 298 of file lri_environment_types.F.

◆ cg_shg

type(lri_clebsch_gordon_type), pointer lri_environment_types::lri_environment_type::cg_shg

Definition at line 300 of file lri_environment_types.F.

◆ ob_smat

type(dbcsr_p_type), dimension(:), pointer lri_environment_types::lri_environment_type::ob_smat

Definition at line 302 of file lri_environment_types.F.

◆ statistics

logical lri_environment_types::lri_environment_type::statistics

Definition at line 304 of file lri_environment_types.F.

◆ stat

type(stat_type) lri_environment_types::lri_environment_type::stat

Definition at line 305 of file lri_environment_types.F.

◆ exact_1c_terms

logical lri_environment_types::lri_environment_type::exact_1c_terms

Definition at line 307 of file lri_environment_types.F.

◆ ppl_ri

logical lri_environment_types::lri_environment_type::ppl_ri

Definition at line 309 of file lri_environment_types.F.

◆ store_integrals

logical lri_environment_types::lri_environment_type::store_integrals

Definition at line 311 of file lri_environment_types.F.

◆ distant_pair_approximation

logical lri_environment_types::lri_environment_type::distant_pair_approximation

Definition at line 313 of file lri_environment_types.F.

◆ distant_pair_method

character(len=10) lri_environment_types::lri_environment_type::distant_pair_method

Definition at line 314 of file lri_environment_types.F.

◆ r_in

real(kind=dp) lri_environment_types::lri_environment_type::r_in

Definition at line 315 of file lri_environment_types.F.

◆ r_out

real(kind=dp) lri_environment_types::lri_environment_type::r_out

Definition at line 316 of file lri_environment_types.F.

◆ aradius

real(kind=dp), dimension(:), pointer lri_environment_types::lri_environment_type::aradius

Definition at line 317 of file lri_environment_types.F.

◆ wbas

type(wbas_type), dimension(:), pointer lri_environment_types::lri_environment_type::wbas

Definition at line 318 of file lri_environment_types.F.

◆ wmat

type(wmat_type), dimension(:, :), pointer lri_environment_types::lri_environment_type::wmat

Definition at line 319 of file lri_environment_types.F.

◆ ri_smat

type(dbcsr_p_type), dimension(:), pointer lri_environment_types::lri_environment_type::ri_smat

Definition at line 321 of file lri_environment_types.F.

◆ ri_sinv

type(dbcsr_p_type), dimension(:), pointer lri_environment_types::lri_environment_type::ri_sinv

Definition at line 321 of file lri_environment_types.F.

◆ ri_fit

type(ri_fit_type), pointer lri_environment_types::lri_environment_type::ri_fit

Definition at line 323 of file lri_environment_types.F.

◆ ri_sinv_app

character(len=10) lri_environment_types::lri_environment_type::ri_sinv_app

Definition at line 324 of file lri_environment_types.F.

◆ o3c

type(o3c_container_type), pointer lri_environment_types::lri_environment_type::o3c

Definition at line 325 of file lri_environment_types.F.


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