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Releases: jthorton/de-forcefields

1.0.4

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@fjclark fjclark released this 15 Sep 12:00
812d906

Updates dependencies (ensures interchange>=0.4.6 and smirnoff-plugins>=2025.09.0 as these contain fixes for handling DoubleExponentialVirtualSites).

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Full Changelog: 1.0.3...1.0.4

1.0.3

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@jthorton jthorton released this 06 Aug 12:00
e491139

Provides new force fields that use the plugin v-site handlers from smirnoff-plugins allowing v-sites to have vdW parameters and charges.

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Full Changelog: 1.0.1...1.0.3

1.0.1

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@jthorton jthorton released this 01 May 08:35
eb99f5e

Updates to work with the newest version of interchange which removes the need for a classic LJ vdW section when using plugins.

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New Contributors

Full Changelog: 1.0.0...1.0.1

1.0.0 DE-Force-1

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@jthorton jthorton released this 20 Feb 10:07
aaaa4c7

DE-Force-1

This is the first release of the proof of concept general Double Exponential force field. See the README for details on how to install and use the force field.

What's Changed

New Contributors

Full Changelog: https://github.com/jthorton/de-forcefields/commits/1.0.0