duartegroup/autodE: 1.4.2 ...

What's Changed Automatic differentiation for primitives by @shoubhikraj in https://github.com/duartegroup/autodE/pull/311 More comprehensive primitive generation by @shoubhikraj in https://github.com/duartegroup/autodE/pull/314 Speedup package import time by @danielhollas in https://github.com/...

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Bibliographic Details
Main Authors: Tom Young, Shoubhik Maiti, Daniel Hollas, Jonathon Vandezande, Kjell Jorner, dpregeljc
Format: Article in Journal/Newspaper
Language:unknown
Published: Zenodo 2024
Subjects:
Orca
Online Access:https://dx.doi.org/10.5281/zenodo.3294218
https://zenodo.org/doi/10.5281/zenodo.3294218
Description
Summary:What's Changed Automatic differentiation for primitives by @shoubhikraj in https://github.com/duartegroup/autodE/pull/311 More comprehensive primitive generation by @shoubhikraj in https://github.com/duartegroup/autodE/pull/314 Speedup package import time by @danielhollas in https://github.com/duartegroup/autodE/pull/319 Allow configurable ORCA output extensions by @t-young31 in https://github.com/duartegroup/autodE/pull/323 New Contributors @danielhollas made their first contribution in https://github.com/duartegroup/autodE/pull/319 Full Changelog: https://github.com/duartegroup/autodE/compare/v1.4.1...v1.4.2 ...

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