used to set the bohr_to_angstrom value as used in the SCF code
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(lib_common_type), | intent(inout) | :: | common_data | |||
| real(kind=dp), | intent(in) | :: | bohr_to_angstrom |
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