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TODO.rst

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TODO List

  1. 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
  2. Move unit conversion to NetcdfReader e.g reader.read_value(varname, unit=None)
  3. 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?
  4. split long lines in the abinit input (e.g. typat 1 1 1 2 --> typat 3*1 2)
  5. Better support for PBS