Documentation for module optimize_basis_types

...

source: optimize_basis_types.F
Loading...

public Types:

basis_optimization_type
type containing all information needed for basis matching
flex_basis_type
...
subset_type
...
derived_basis_info
...

public Subroutines/Functions:

Deallocate everything which was allocated before. Note not all arrays are used depending on the type of basis i.e derived or reference basis set

public Types:

TYPE :: basis_optimization_type

type containing all information needed for basis matching


DIMENSION(:), ALLOCATABLE :: comp_group ...
INTEGER
:: ntraining_sets ...
INTEGER
:: ncombinations ...
LOGICAL
:: use_condition_number ...
INTEGER,
DIMENSION(:), POINTER :: group_partition ...
INTEGER,
DIMENSION(:,:), ALLOCATABLE :: combination ...
REAL(dp),
DIMENSION(:), ALLOCATABLE :: fval_weight ...
REAL(dp),
DIMENSION(:), ALLOCATABLE :: condition_weight ...
INTEGER
:: nkind ...
INTEGER
:: write_frequency ...
INTEGER
:: nbasis_deriv_types ...
REAL(dp),
DIMENSION(:), ALLOCATABLE :: x_opt ...
:: powell_param ...
DIMENSION(:), ALLOCATABLE :: training_input ...
DIMENSION(:), ALLOCATABLE :: training_dir ...
:: work_basis_file ...
:: output_basis_file ...
:: template_basis_file ...
DIMENSION(:), ALLOCATABLE :: kind_basis ...
INTEGER
:: opt_id ...

TYPE :: derived_basis_info

...


:: basis_name ...
INTEGER
:: reference_set ...
INTEGER,
DIMENSION(:,:), ALLOCATABLE :: remove_contr ...
INTEGER
:: nsets ...
INTEGER
:: ncontr ...
INTEGER,
DIMENSION(:), ALLOCATABLE :: remove_set ...
LOGICAL,
DIMENSION(:), ALLOCATABLE :: in_use_set ...
DIMENSION(:), ALLOCATABLE :: use_contr ...

TYPE :: flex_basis_type

...


:: basis_name ...
INTEGER
:: nopt ...
INTEGER
:: nsets ...
DIMENSION(:), ALLOCATABLE :: subset ...

TYPE :: subset_type

...


INTEGER
:: lmin ...
INTEGER
:: lmax ...
INTEGER
:: nexp ...
INTEGER
:: n ...
INTEGER
:: ncon_tot ...
INTEGER
:: nl ...
INTEGER,
DIMENSION(:), ALLOCATABLE :: l ...
REAL(dp),
DIMENSION(:,:), ALLOCATABLE :: coeff ...
LOGICAL,
DIMENSION(:,:), ALLOCATABLE :: opt_coeff ...
INTEGER,
DIMENSION(:,:), ALLOCATABLE :: coeff_x_ind ...
REAL(dp),
DIMENSION(:), ALLOCATABLE :: exps ...
LOGICAL,
DIMENSION(:), ALLOCATABLE :: opt_exps ...
INTEGER,
DIMENSION(:), ALLOCATABLE :: exp_x_ind ...
LOGICAL,
DIMENSION(:), ALLOCATABLE :: exp_has_const ...
DIMENSION(:), ALLOCATABLE :: exp_const ...

SUBROUTINEdeallocate_basis_optimization_type(opt_bas)

Deallocate everything which was allocated before. Note not all arrays are used depending on the type of basis i.e derived or reference basis set

Arguments:
:: opt_bas ...

private Parameters/Types:

private Types:

TYPE :: comp_group_type

...


INTEGER,
DIMENSION(:), ALLOCATABLE :: member_list ...

TYPE :: exp_constraint_type

...


INTEGER
:: const_type ...
REAL(dp)
:: llim ...
REAL(dp)
:: ulim ...
REAL(dp)
:: init ...
REAL(dp)
:: var_fac ...

TYPE :: kind_basis_type

...


:: basis_name ...
:: element ...
INTEGER
:: nbasis_deriv ...
DIMENSION(:), ALLOCATABLE :: deriv_info ...
DIMENSION(:), ALLOCATABLE :: flex_basis ...

TYPE :: use_contr_type

...


LOGICAL,
DIMENSION(:), ALLOCATABLE :: in_use ...