Published June 19, 2023
| Version TeraChemAdaptiveRestraints
Software
Open
arwalkerlab/TeraChemAdaptiveRestraints: v1.0.0
Creators
Description
This is the initial release for the TeraChem implementation of the Gradient-Based Adaptive Restraints Algorithm for accelerating QM/MM geometry optimizations.
Files
arwalkerlab/TeraChemAdaptiveRestraints-TeraChemAdaptiveRestraints.zip
Files
(11.8 kB)
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md5:e6e2b2a710639327d2b037a70bc58cdf
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Additional details
Related works
- Is supplement to
- https://github.com/arwalkerlab/TeraChemAdaptiveRestraints/tree/TeraChemAdaptiveRestraints (URL)