v0.9.0 - Functional version

This version was fully functional for all grids, with test_pdf_map_where and test_pdf_map_wheregex test functions agreeing with XD for single-atom lattices and all reasonable values of other parameters (in particular, C & D < 1e-5). It also contains a modified makes_cubes.py file, which in July version of olex2 correctly and immediately calculates PDF maps for all atoms in every crystal structure, warning the user about potential problems with negative PDFs and Kuhs' law violations.

This is a final version of the files as of the end of my three-week project in Regensburg, but will possibly require minor modification before integrating with olex2-stable version.

v0.1.0 - Functional for orthogonal grids

This version should be able to run elementary tests on maps using test_pdf_map_where, test_pdf_map_wheregex and test_pdf_map_single_case unless they have angles different than 90 degrees. Currently it reports kurtosis and variance, but these should not be trusted as the size of grid matters. In future releases grid trimming and non-right angles will be included.