1.0.5.1 * Fixes accidental missed variable name change which stops the program calculating dipole fields! 1.0.5 *** CRYSTAL STRUCTURE FILES WILL NO LONGER OPEN UNLESS THEY ARE CALLED '*-crystal-structure.json' where * is a wildcard for any name you like. MmCalc will automatically add this to new files, so there is no need to append it when asked to specify a filename. *** *** Truly spherical crystals will be built where alpha,beta,gamma != 90 degrees *** * Total redevelopment of the visualisation controls * A new menu devoted entirely to it * Customisation of atom colour, size, opacity... * Rationalisation of the functions controlling visualisation * 3D stereo options!!! * POV-Ray export * Can now read TSV files regardless of type of line break (Linux: \n, Windows: \r\n, Mac: \r) used * Convergence test now tries 10 points rather than 3 * Even more bugfixes! * All non-magnetic ions are now removed when building vcrystals...previously the 0th remained regardless of moment or absence thereof. 1.0.4 * Doesn't write NaNs to *-dipole-field.tsv, because some versions of NumPy crash on numpy.float('nan') and they're essentially useless anyway. * csc module writes more metadata to output files. * More minor bugfixes. 1.0.3 * Massive speed increase in the loop which calculates dipole fields (~50-100x) thanks to executing the loop entirely in NumPy rather than as a Python for loop. ** See http://stackoverflow.com/questions/2586749/what-is-the-most-platform-and-python-version-independent-way-to-make-a-fast-loop * Some minor bugfixes 1.0.1 * can now draw fields between selected values, so you can draw fields where infinities are present.