w90_set_constant_bohr_to_ang Subroutine

public subroutine w90_set_constant_bohr_to_ang(common_data, bohr_to_angstrom)

used to set the bohr_to_angstrom value as used in the SCF code

Arguments

Type IntentOptional Attributes Name
type(lib_common_type), intent(inout) :: common_data
real(kind=dp), intent(in) :: bohr_to_angstrom

Source Code

  subroutine w90_set_constant_bohr_to_ang(common_data, bohr_to_angstrom)
    !! used to set the bohr_to_angstrom value as used in the SCF code
    implicit none

    type(lib_common_type), intent(inout) :: common_data
    real(kind=dp), intent(in) :: bohr_to_angstrom

    common_data%physics%bohr = bohr_to_angstrom
    common_data%physics%bohr_version_str = "-> Using Bohr value from linked main code"
  end subroutine w90_set_constant_bohr_to_ang