(refactoring) Clear separation of phonopy instances for phelel and for extra phonon #52
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Note: This is a major refactoring and so errors might be introduced.
Extra-phonon (e.g., different supercell size from that of phelel supercell) is rarely used, so in the future, this feature may be removed. The aim of this PR is to isolate extra-phonon related stuffs in
Phelel
class.self._phelel_phonon
is used both for phelel dataset and phonon with the same supercell sizeself._phonon
is used for the extra-phonon.self.force_constants
accessself._phelel_phonon.force_constants
ifself._phonon
isNone
, elseself._phonon.force_constants
self.nac_params
accessesself._phelel_phonon.nac_params
. Setter ofself.nac_params
accessesself._phelel_phonon.nac_params
and, if self._phonon is not None,self._phonon.nac_params
.