Bugfixes and tweaks + new interface * ATAT interface (very much in beta). * Major bugfix in Crystal09 interface. * Tweak in how the code tries to identify certain conspicuous floating point numbers in the input file. Now only 1/3 and 2/3 are identified and rounded. * Bugfix in EMTO interface.
* Added possibility to change the choice of lattice vectors for body-centred settings (--alternate-body-centred-setting). * Bugfix in cell transformation routine.
* The code will now stop with an error message if the chemical formula of the generated cell does not match that given by _chemical_formula_sum. Useful for example for detecting compounds with missing hydrogen atoms.