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This update adds pymatgen interfaces to ramannoodle. Through pymatgen, ramannoodle can talk with a much wider variety of DFT packages.
New features
io.pymatgen
module for interacting with pymatgenStructure
's,Trajectory
's, etc. 4984f65InterpolationModel.add_dof_from_pymatgen
for building interpolation models from pymatgen objects. a6786f6ARTModel.add_art_from_pymatgen
for building ART models from pymatgen objects 4984f65[pymatgen]
install option group to enable pymatgen interfaces f3bd2b7Improvements
__all__
in__init__.py
files f3bd2b7Documentation
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