News October 23, 2024

Bugfix: ReaxFF-lg dispersion force field

We have fixed a bug in the ReaxFF-lg dispersion correction that would lead to too short inter-molecule distances and too high densities of fully equilibrated systems, for instance for explosives or cross-linked polymers. This does not affect regular ReaxFF force fields.

The patch should be effective on any AMS version with revision number > r240716, and is included in our current standard downloads (AMS2024.104 and beyond).

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