Metadata-Version: 2.1
Name: cmselemental
Version: 0.2.0
Summary: UNKNOWN
Home-page: UNKNOWN
Author: MolSSI
Author-email: support@molssi.org
License: BSD-3-Clause
Platform: UNKNOWN
Classifier: Development Status :: 3 - Alpha
Description-Content-Type: text/markdown
Provides-Extra: tests
Provides-Extra: yaml
Provides-Extra: hdf5
Provides-Extra: msgpack
License-File: LICENSE

CMSElemental
====================
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A python package which provides data models & tools for the Computational Molecular Sciences (CMS).
CMSElemental provides:

- Pydantic models:
  - Base models: primarily `ProtoModel`, a subclass of the [pydantic](https://pydantic-docs.helpmanual.io) `BaseModel`, which provides commonly used methods in CMS for data parsing, validation, and serializatio>
  - Procedure models: for storing generic intput/output data associated with CMS procedures.
  - Common models: a miscellaneous collection of frequently used models in CMS.

- File I/O methods:
  - JSON: support for JSON schema ([draft-07](https://json-schema.org/specification-links.html#draft-7)).
  - YAML: support for YAML [1.1](https://yaml.org/spec/1.1) (PyYAML) and [1.2](https://yaml.org/spec/1.2) (ruamel.yaml).
  - MessagePack: support for the msgpack data format.
  - HDF5: support for [HDF5](https://support.hdfgroup.org/HDF5/doc1.6/UG/03_Model.html) file schema and the [HDF5-JSON](https://github.com/HDFGroup/hdf5-json) specification.


