int2_pair_storage Derived Type

type, public :: int2_pair_storage


Inherited by

type~~int2_pair_storage~~InheritedByGraph type~int2_pair_storage int2_pair_storage type~int2_compute_t int2_compute_t type~int2_compute_t->type~int2_pair_storage ppairs

Components

Type Visibility Attributes Name Initial
real(kind=dp), public, allocatable :: alpha_a(:)
real(kind=dp), public, allocatable :: alpha_b(:)
real(kind=dp), public, allocatable :: g(:)
real(kind=dp), public, allocatable :: ginv(:)
real(kind=dp), public, allocatable :: k(:)
real(kind=dp), public, allocatable :: p(:,:)
real(kind=dp), public, allocatable :: pa(:,:)
real(kind=dp), public, allocatable :: pb(:,:)
real(kind=dp), public, allocatable :: rab(:)
real(kind=dp), public, allocatable :: uab(:)
integer, public, allocatable :: ppid(:,:)

Type-Bound Procedures

procedure, public :: alloc => int2_prepare_pair_storage

  • private subroutine int2_prepare_pair_storage(ppairs, basis, cutoffs)

    Arguments

    Type IntentOptional Attributes Name
    class(int2_pair_storage), intent(inout) :: ppairs
    type(basis_set), intent(in) :: basis
    type(int2_cutoffs_t), intent(in) :: cutoffs

procedure, public :: compute => int2_prepare_shellpairs

  • private subroutine int2_prepare_shellpairs(ppairs, basis, cutoffs, noswap)

    Arguments

    Type IntentOptional Attributes Name
    class(int2_pair_storage), intent(inout) :: ppairs
    type(basis_set), intent(in) :: basis
    type(int2_cutoffs_t), intent(in) :: cutoffs
    logical, intent(in), optional :: noswap

procedure, public :: clean => int2_clean_pair_storage

  • private subroutine int2_clean_pair_storage(ppairs)

    Arguments

    Type IntentOptional Attributes Name
    class(int2_pair_storage), intent(inout) :: ppairs