JMATRIX - to-do list -------------------- [x] - priority, 0-lowest, 2-highest (+) - new function ($) - improving existing function (!) - bug (%) - cosmetic / clean up Improvements to the method -------------------------- [2] ($) The method stops working for calculations in gaussian basis and big energies (mor or less for e>25). This IS NOT the program's fault, this is the method's fault. Try to improve the method to accept big energies in gaussian basis. [2] ($) "The lambda problem" - the method works for scaling parameter lambda equal to unity. For other values, results are not correct. This is another method's fault, not a program, and needs to be resolved. Using the scaling parameter may greatly improve the convergence. [1] (+) Try to speed up the convergence in general, by modyfiing the method Improvements to the code ------------------------ [2] (+) Introduce the Yukawa potential [2] ($) Rewrite documentation as it is rather outdated at the moment [1] ($) Try to speed up the program. Since the computational complexity is proportional to n^4, this is the main resctriction on the size of calculations. [0] ($) Introduce integration with constants points and store results [0] ($) Minimize memory usage. If n aproaches 5000 in the relativistic calculations, program uses a few matrices of dimensions 10000 x 10000 x 8 bytes = 800 000 bytes = 0.8Gbytes... [1] ($) Use only halves of the matrices, as they are all symmetric [1] ($) look at the v and v_saved, do they really need to be stored in memory? [0] ($) Extend and improve the Makefile [0] (+) Calculate difference between relativistic and non-relativistic numerical deltas, and compare with difference between analytical ones [0] (%) Unify matrices dimensions (now some indexes start from 0, some from 1) [0] (+) Introduce numerical potential (interpolation?) [0] (+) Introduce quarduple precision