AddingPolarizability

All places in the code, where something should be added, are commented. These comments start with TO ADD POLARIZABILITY FORMULATION and contain detailed description; the text below is less detailed. Added code should be analogous to polarizability formulations already present. The procedure is the following:

• Add new polarizability descriptor in the file const.h. Starting descriptor name with POL_ is recommended, as well as adding a descriptive comment.
• Add information about the new interaction formulation in the file param.c.
  • Modify string constants after PAR(pol) in the constant array options: add new argument to list {...} and its description to the next string.
  • Add one line to the else-if sequence in the function PARSE_FUNC(pol). If new formulation allows sub-arguments, process them here.
  • If the new polarizability formulation is incompatible with anisotropic material, add an exception in function VariablesInterconnect.
  • Add a case to the relevant switch in the function PrintInfo.
• Main part of the code should be added to calculator.c.
  • The main logic should be placed in function CoupleConstant. The corresponding case should either be added to asym list (then three components of polarizability are calculated from one refractive index) or to another one, then a scalar function is used.
  • If new formulation depends on the incident polarization (unlikely) update the test in function calculate_one_orientation.

Please refer to section Polarizability prescription of the manual for general overview and precise definition of the dipole polarizability inside ADDA.

If you add a new polarizability formulation to ADDA according to the described procedure, please consider contributing your code to be incorporated in future releases.