to_bohr Function

public pure elemental function to_bohr(angstrom_value) result(bohr_value)

Convert coordinate from Angstrom to Bohr

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: angstrom_value

Return Value real(kind=dp)


Called by

proc~~to_bohr~~CalledByGraph proc~to_bohr to_bohr proc~geometry_to_system_unfragmented geometry_to_system_unfragmented proc~geometry_to_system_unfragmented->proc~to_bohr proc~initialize_fragmented_system initialize_fragmented_system proc~initialize_fragmented_system->proc~to_bohr proc~initialize_system_geometry initialize_system_geometry proc~initialize_system_geometry->proc~to_bohr proc~config_to_system_geometry config_to_system_geometry proc~config_to_system_geometry->proc~geometry_to_system_unfragmented proc~geometry_to_system_fragmented geometry_to_system_fragmented proc~config_to_system_geometry->proc~geometry_to_system_fragmented proc~molecule_to_system_geometry molecule_to_system_geometry proc~config_to_system_geometry->proc~molecule_to_system_geometry proc~geometry_to_system_fragmented->proc~initialize_fragmented_system proc~molecule_to_system_geometry->proc~geometry_to_system_unfragmented proc~molecule_to_system_geometry->proc~initialize_fragmented_system proc~run_multi_molecule_calculations run_multi_molecule_calculations proc~run_multi_molecule_calculations->proc~config_to_system_geometry program~main main program~main->proc~config_to_system_geometry program~main->proc~run_multi_molecule_calculations

Source Code

   pure elemental function to_bohr(angstrom_value) result(bohr_value)
      !! Convert coordinate from Angstrom to Bohr
      real(dp), intent(in) :: angstrom_value
      real(dp) :: bohr_value
      bohr_value = angstrom_value*ANGSTROM_TO_BOHR
   end function to_bohr