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Recent Releases of qcengine

qcengine - v0.33.0, 2025-07-31

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0330--2025-07-31

- Python
Published by loriab 5 months ago

qcengine - v0.32.0, 2025-05-03

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0320--2025-05-03

- Python
Published by loriab 8 months ago

qcengine - v0.31.0, 2025-01-17

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0310--2025-01-17

- Python
Published by loriab 11 months ago

qcengine - v0.30.0

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0300--2024-06-25

- Python
Published by loriab over 1 year ago

qcengine - v0.29.0

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0290--2023-10-31

- Python
Published by loriab about 2 years ago

qcengine - v0.28.1

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0281--2023-08-18

- Python
Published by loriab over 2 years ago

qcengine - v0.28.0

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0280--2023-08-15

- Python
Published by loriab over 2 years ago

qcengine - v0.27.0

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0270--2023-08-02

- Python
Published by loriab over 2 years ago

qcengine - v0.26.0

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0260--2022-11-30

- Python
Published by loriab about 3 years ago

qcengine - v0.25.0

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0250--2022-11-11

- Python
Published by loriab about 3 years ago

qcengine - v0.24.1

https://github.com/MolSSI/QCEngine/blob/v0.24.1/docs/source/changelog.rst#v0241--2022-08-16

- Python
Published by loriab over 3 years ago

qcengine - v0.24.0

https://github.com/MolSSI/QCEngine/blob/v0.24.0/docs/source/changelog.rst#v0240--2022-07-08

- Python
Published by loriab over 3 years ago

qcengine - v0.23.0

https://github.com/MolSSI/QCEngine/blob/v0.23.0/docs/source/changelog.rst#v0230--2022-03-10

- Python
Published by dotsdl almost 4 years ago

qcengine - v0.22.0

https://github.com/MolSSI/QCEngine/blob/v0.22.0/docs/source/changelog.rst#v0220--2022-01-25

- Python
Published by dotsdl almost 4 years ago

qcengine - v0.21.0

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0210--2021-11-22

- Python
Published by loriab about 4 years ago

qcengine - v0.20.1

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0201--2021-10-08

- Python
Published by loriab about 4 years ago

qcengine - v0.20.0

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0200--2021-10-01

- Python
Published by loriab about 4 years ago

qcengine - v0.19.0

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0190--2021-05-16

- Python
Published by loriab over 4 years ago

qcengine - v0.18.0

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0180--2021-02-16

- Python
Published by loriab almost 5 years ago

qcengine - v0.17.0

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0170--2020-10-02

- Python
Published by loriab about 5 years ago

qcengine - v0.16.0

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0160--2020-08-19

- Python
Published by loriab over 5 years ago

qcengine - v0.15.0

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0150--2020-06-26

- Python
Published by loriab over 5 years ago

qcengine - 0.14.0

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0140--2020-02-06

- Python
Published by dgasmith almost 6 years ago

qcengine - v0.13.0

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0130--2019-12-10

- Python
Published by dgasmith about 6 years ago

qcengine - v0.12.0

For a full changelog, please see the docs at:

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0120--2019-11-13

- Python
Published by dgasmith about 6 years ago

qcengine - v0.11.0

For a full changelog, please see the docs at:

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0110--2019-10-01

- Python
Published by dgasmith about 6 years ago

qcengine - v0.10.0

For a full change log, please see the docs at:

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v0100--2019-09-25

- Python
Published by Lnaden over 6 years ago

qcengine - v0.9.0

For a full change log, please see the docs at:

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v090--2019-08-14

- Python
Published by Lnaden over 6 years ago

qcengine - v0.8.2

Small bugfix release for the QCArchive stack

For a full change log, see the docs at https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v082--2019-07-25

- Python
Published by Lnaden over 6 years ago

qcengine - v0.8.1

For a full change log of this patch, please see the docs at:

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v081--2019-07-22

- Python
Published by Lnaden over 6 years ago

qcengine - v0.8.0

For a full change log, please see the docs at:

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v080--2019-07-19

- Python
Published by Lnaden over 6 years ago

qcengine - v0.7.1

Small bug fix update to include all tests with the package

For the full change log, see the docs at

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v071--2019-06-18

- Python
Published by Lnaden over 6 years ago

qcengine - v0.7.0

For a full change log, please see the docs at:

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v070--2019-06-17

- Python
Published by Lnaden over 6 years ago

qcengine - v0.6.4

For the full change log, see the docs at:

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v064--2019-03-21

- Python
Published by Lnaden almost 7 years ago

qcengine - v0.6.3

For a full change log, see:

https://github.com/MolSSI/QCEngine/blob/master/docs/source/changelog.rst#v063--2019-03-15

- Python
Published by Lnaden almost 7 years ago

qcengine - v0.6.2

For the full change log, please see the docs:

https://github.com/MolSSI/QCEngine/blob/dcd468b0eda1c4de4906460f08aa33f45618723d/docs/source/changelog.rst

- Python
Published by Lnaden almost 7 years ago

qcengine - v0.6.1

- Python
Published by dgasmith almost 7 years ago

qcengine - v0.6.0

Changelog: https://qcengine.readthedocs.io/en/latest/changelog.html#v0-6-0-2019-02-28

- Python
Published by dgasmith almost 7 years ago

qcengine - v0.5.2

Changelog: https://qcengine.readthedocs.io/en/latest/changelog.html#v0-5-2-2019-02-13

- Python
Published by dgasmith almost 7 years ago

qcengine - v0.5.1

Changelog: https://qcengine.readthedocs.io/en/latest/changelog.html#v0-5-1-2019-01-29

- Python
Published by dgasmith almost 7 years ago

qcengine - v0.5.0

Changelog: https://qcengine.readthedocs.io/en/latest/changelog.html#v0-5-0-2019-01-28

- Python
Published by dgasmith almost 7 years ago

qcengine - v0.4.0

New Features: - Data is captured in stdout/stderr and returned. - error field has been moved to error_message.

- Python
Published by dgasmith about 7 years ago

qcengine - v0.3.1

A number of documentation and bug fixes.

- Python
Published by dgasmith about 7 years ago

qcengine - v0.3.0

Notes: - Adds geometric optimization procedure. - load_options can be read from string.

- Python
Published by dgasmith over 7 years ago

qcengine - v0.2.1

Notes: - Now uses physical core count for nthread logic (prevents hyperthreading).

- Python
Published by dgasmith over 7 years ago

qcengine - v0.2.0 release

Notes: - Added automatic memory and thread parameterization through auto flags. - Adds support for Psi4 v1.1, v1.2rc2 - Updates JSON support to v1 of the QC Schema.

- Python
Published by dgasmith over 7 years ago