Recent Releases of qcelemental
qcelemental - v0.29.0
https://github.com/MolSSI/QCElemental/blob/master/docs/changelog.rst#0290--2025-01-13
- Python
Published by loriab about 1 year ago
qcelemental - v0.28.0
https://github.com/MolSSI/QCElemental/blob/master/docs/changelog.rst#0280--2024-06-21
- Python
Published by loriab over 1 year ago
qcelemental - v0.27.1
https://github.com/MolSSI/QCElemental/blob/master/docs/changelog.rst#0271--2023-10-26
- Python
Published by loriab over 2 years ago
qcelemental - v0.27.0
https://github.com/MolSSI/QCElemental/blob/master/docs/changelog.rst#0270--2023-10-24
- Python
Published by loriab over 2 years ago
qcelemental - v0.26.0
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0260--2023-07-31
- Python
Published by loriab over 2 years ago
qcelemental - v0.25.1
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0251--2022-10-31
- Python
Published by loriab over 3 years ago
qcelemental - v0.25.0
v0.25.0 https://github.com/MolSSI/QCElemental/commit/295642189fe3c4d0812142c0304d8ae9c8674d4c https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0250--2022-06-13
- Python
Published by loriab over 3 years ago
qcelemental - v0.24.0
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0240--2021-11-18
- Python
Published by loriab over 4 years ago
qcelemental - v0.23.0
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0230--2021-09-23
- Python
Published by loriab over 4 years ago
qcelemental - v0.22.0
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0220--2021-08-26
- Python
Published by loriab over 4 years ago
qcelemental - v0.21.0
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0210--2021-06-30
- Python
Published by loriab over 4 years ago
qcelemental - v0.20.0
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0200--2020-05-16
- Python
Published by loriab almost 5 years ago
qcelemental - v0.19.0
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0190--2020-03-04
- Python
Published by loriab almost 5 years ago
qcelemental - v0.18.0
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0180--2020-02-16
- Python
Published by loriab about 5 years ago
qcelemental - v0.17.0
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0170--2020-08-01
- Python
Published by loriab over 5 years ago
qcelemental - v0.16.0
For a full change log, please see the docs at:
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0160--2020-08-19
- Python
Published by loriab over 5 years ago
qcelemental - v0.15.1
For a full change log, please see the docs at:
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0151--2020-06-25
- Python
Published by loriab over 5 years ago
qcelemental - v0.15.0
For a full change log, please see the docs at:
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0150--2020-06-25
- Python
Published by loriab over 5 years ago
qcelemental - v0.14.0
For a full change log, please see the docs at:
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0140--2020-03-06
- Python
Published by mattwelborn almost 6 years ago
qcelemental - v0.13.1
For a full change log, please see the docs at:
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0131--2020-02-05
- Python
Published by mattwelborn about 6 years ago
qcelemental - v0.13.0
For a full change log, please see the docs at:
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0130--2020-01-29
- Python
Published by mattwelborn about 6 years ago
qcelemental - v0.12.0
For a full change log, please see the docs at:
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0120--2019-11-13
- Python
Published by dgasmith over 6 years ago
qcelemental - v0.11.1
For a full change log, please see the docs at:
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0111--2019-10-28
- Python
Published by Lnaden over 6 years ago
qcelemental - v0.11.0
For a full change log, please see the docs at:
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0110--2019-10-24
- Python
Published by dgasmith over 6 years ago
qcelemental - v0.10.0
For a full change log, please see the docs at:
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#0100--2019-10-16
- Python
Published by Lnaden over 6 years ago
qcelemental - v0.9.0
For a full change log, please see the docs at:
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#090--2019-10-01
- Python
Published by Lnaden over 6 years ago
qcelemental - v0.8.0
For a full change log, see docs at https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#080--2019-09-13
- Python
Published by loriab over 6 years ago
qcelemental - v0.7.0
For a full change log, please see the docs at:
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#070--2019-18-23
- Python
Published by Lnaden over 6 years ago
qcelemental - v0.6.1
For a full change log, please see the docs at:
https://github.com/MolSSI/QCElemental/blob/maintenance/v0.6.x/docs/source/changelog.rst#061--2019-08-19
- Python
Published by Lnaden over 6 years ago
qcelemental - v0.6.0
For the full change log, please see the docs at:
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#060--2019-08-14
- Python
Published by Lnaden over 6 years ago
qcelemental - v0.5.0
For a full change log, see the docs at:
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#050--2019-07-16
- Python
Published by Lnaden over 6 years ago
qcelemental - v0.4.2
For the full change log, please see the detailed docs at
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#042--2019-06-13
- Python
Published by Lnaden over 6 years ago
qcelemental - v0.4.1
For a full change log, see the following docs:
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#041--2019-05-31
- Python
Published by Lnaden over 6 years ago
qcelemental - v0.4.0
For the full change log: see the docs:
https://github.com/MolSSI/QCElemental/blob/v0.4.0/docs/source/changelog.rst#040--2019-05-13
- Python
Published by dgasmith almost 7 years ago
qcelemental - v0.3.3
Additional improvements which did not get in to v0.3.2
For a full change log, see:
https://github.com/MolSSI/QCElemental/blob/master/docs/source/changelog.rst#033--2019-03-12
- Python
Published by Lnaden almost 7 years ago
qcelemental - v0.3.2
For the full change log: see the docs:
https://github.com/MolSSI/QCElemental/blob/v0.3.2/docs/source/changelog.rst#032--2019-03-11
- Python
Published by loriab almost 7 years ago
qcelemental - v0.3.1
For the full change log: see the docs:
https://github.com/MolSSI/QCElemental/blob/087bd8fd8506f661189b3f8c28ea3a10abaceb9f/docs/source/changelog.rst
- Python
Published by Lnaden almost 7 years ago
qcelemental - v0.3.0
Changelog: https://qcelemental.readthedocs.io/en/latest/changelog.html#dd
- Python
Published by dgasmith almost 7 years ago
qcelemental - v0.2.6
Fixes an issue with Pydantic v0.20.
- Python
Published by dgasmith about 7 years ago
qcelemental - v0.2.5
Fixes an issue in the computation of dihedrals, adds additional tests to increase coverages, and other minor tweaks.
- Python
Published by dgasmith about 7 years ago
qcelemental - v0.2.4
Adds a new testing.py module that contains a suite of tests for values, arrays, and recursive structures such as dictionaries. Also includes enhancements to module load speed (currently 200ms).
- Python
Published by dgasmith about 7 years ago
qcelemental - v0.2.3
Update models to be compatible with QCFractal and MongoDB objects in the QCArchive Ecosystem.
Also enhances the Molecule model's json function to accept as_dict=bool keyword, permitting a return as a dictionary of Pydantic-serialized python (primitive) objects, instead of a json-compatible string
- Python
Published by Lnaden about 7 years ago
qcelemental - v0.2.0
Adds Pydantic to dependencies Requires Python 3.6+ from this point forward
- Python
Published by Lnaden about 7 years ago
qcelemental - v0.1.2
Changelog: https://qcelemental.readthedocs.io/en/latest/changelog.html#id1
- Python
Published by loriab over 7 years ago
qcelemental - v0.1.1
Changelog: https://qcelemental.readthedocs.io/en/latest/changelog.html#id1
- Python
Published by loriab over 7 years ago
qcelemental - v0.1.0a
Changelog: https://qcelemental.readthedocs.io/en/latest/changelog.html#a-2018-10-24
- Python
Published by dgasmith over 7 years ago