A compute wrapper for Quantum Chemistry.

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License: BSD-3C

Author: Daniel G. A. Smith

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Project description

QCEngine

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Quantum chemistry program executor and IO standardizer (QCSchema) for quantum chemistry.

Available Compute Programs:

Available Procedures:

See the documentation for more information.

License

BSD-3C. See the License File for more information.

Project details

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Avatar for bennybp from gravatar.com bennybp Avatar for dotsdl from gravatar.com dotsdl Avatar for lnaden from gravatar.com lnaden Avatar for loriab from gravatar.com loriab Avatar for molssi from gravatar.com molssi

Unverified details

These details have not been verified by PyPI
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GitHub Statistics

View statistics for this project via Libraries.io, or by using our public dataset on Google BigQuery

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License: BSD-3C

Author: Daniel G. A. Smith

Classifiers

Release history Release notifications | RSS feed

0.29.0

0.28.1

0.28.0

0.27.0

0.26.0

0.25.0

0.24.1

0.24.0

0.23.0

0.22.0

0.21.0

0.20.1

0.20.0

0.19.0

0.18.0

0.17.0

0.16.0

0.15.0

0.14.0

0.13.0

0.12.0

0.11.0

0.10.0

0.9.0

0.8.2

0.8.1

0.8.0

0.7.1

0.7.0

0.6.4

0.6.3

0.6.2

0.6.1

0.6.0

This version

0.5.2

0.5.1

0.5.0

0.4.0

0.3.0

0.2.1

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qcengine-0.5.2.tar.gz (30.7 kB view hashes)

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