TODO List ========= #. Rationalize the different readers defined in pymatgen and abipy. Try to integrate some method of abipy.core.Structure in pymatgen.core.Structure. See the hack used in iotools.__init__.py #. Move unit conversion to NetcdfReader e.g reader.read_value(varname, unit=None) #. Use different and cleaner rules for file extensions in ABINIT. Why _DEN12 and _1WF13 instead of the simpler syntax 12_1DEN, 13_1WF in which the extension is preserved? #. split long lines in the abinit input (e.g. typat 1 1 1 2 --> typat 3*1 2) #. Better support for PBS