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REL: Version bump: 0.8.8 -> 0.8.9 (#166)
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BvB93 authored Nov 27, 2020
1 parent 263a477 commit 60f4533
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14 changes: 14 additions & 0 deletions CHANGELOG.rst
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Expand Up @@ -6,6 +6,20 @@ All notable changes to this project will be documented in this file.
This project adheres to `Semantic Versioning <http://semver.org/>`_.


0.8.9
*****
* Fixed an issue where frozen parameters were not respected when performing
contrained parameter updates.
* Fixed an issue where the ARMCPT parameters weren't properly swapped.
* Added two new ARMC options: ``param.validation.allow_non_existent``
and ``param.validation.charge_tolerance``.
* Update the type hints within Auto-FOX.
* Allow the ARMC(PT) input to, once again, be dumped to a .yaml file via
the ``armc2yaml`` command.
* Dump more information into the ARMC logger.
* Re-enable the ARMC restart option.


0.8.8
*****
* Added recipes for calculating time-resolved angular/radial distribution functions.
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2 changes: 1 addition & 1 deletion FOX/__version__.py
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"""The Auto-FOX version."""

__version__ = '0.8.8'
__version__ = '0.8.9'
4 changes: 2 additions & 2 deletions README.rst
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Expand Up @@ -15,7 +15,7 @@


#################################################
Automated Forcefield Optimization Extension 0.8.8
Automated Forcefield Optimization Extension 0.8.9
#################################################

**Auto-FOX** is a library for analyzing potential energy surfaces (PESs) and
Expand Down Expand Up @@ -90,7 +90,7 @@ Installing **Auto-FOX**

- If using Conda, enable the environment: ``conda activate FOX``

- Install **Auto-FOX** with PyPi: ``pip install git+https://github.com/nlesc-nano/auto-FOX@master --upgrade``
- Install **Auto-FOX** with PyPi: ``pip install git+https://github.com/nlesc-nano/auto-FOX@0.8 --upgrade``

- Congratulations, **Auto-FOX** is now installed and ready for use!

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2 changes: 1 addition & 1 deletion docs/conf.py
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Expand Up @@ -74,7 +74,7 @@
# The version info for the project you're documenting, acts as replacement for
# |version| and |release|, also used in various other places throughout the
# built documents.
release = '0.8.8' # The full version, including alpha/beta/rc tags.
release = '0.8.9' # The full version, including alpha/beta/rc tags.
version = release.rsplit('.', maxsplit=1)[0] # The short X.Y version.


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