[WIP] Add emmet-archival namespace package #1190
Open
+1,583
−1
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Summary
Adds an
archival
namespace package toemmet
to establish MP's data archival formats moving forward. This package should be flexible enough to permit new data formats as they become relevant (e.g., data from phonopy, LOBSTER, etc.)Archiver
class that defines a schema for how data is to be archived / retrieved from HDF5 + zarr filesRawArchive
class:TaskDoc
from HDF5/zarr dataVolumetricArchive
+ separate volumetric data classes: formats for convertingCHGCAR
-structured files, bandstructures, and DOS to HDF5/zarrTrajArchive
for storing trajectory information. Agnostic to traj format typeTo Do's:
TrajArchive
to strip ionic step info from aTaskDoc