basis_library_t Derived Type

type, public :: basis_library_t


Inherits

type~~basis_library_t~~InheritsGraph type~basis_library_t basis_library_t type~atom_basis_t atom_basis_t type~basis_library_t->type~atom_basis_t atoms

Components

Type Visibility Attributes Name Initial
type(atom_basis_t), public :: atoms(MAX_ELEMENT_Z)

Type-Bound Procedures

procedure, public :: from_file => read_basis_library

  • private subroutine read_basis_library(this, fname)

    Arguments

    Type IntentOptional Attributes Name
    class(basis_library_t), intent(inout), target :: this
    character(len=*), intent(in) :: fname

procedure, public :: calc_req_storage

  • private subroutine calc_req_storage(this, z, nshell, ngauss, nbasis)

    Arguments

    Type IntentOptional Attributes Name
    class(basis_library_t), intent(in), target :: this
    integer, intent(in) :: z(:)
    integer, intent(out) :: nshell
    integer, intent(out) :: ngauss
    integer, intent(out) :: nbasis

procedure, public :: echo => basis_library_echo

  • private subroutine basis_library_echo(this)

    Arguments

    Type IntentOptional Attributes Name
    class(basis_library_t), intent(in) :: this