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General
Ensembles
eReaxff: classical treatment of the explicit electron
Properties and Analysis
FF Optimizer: framework for force field parameter optimization
Accelerating Molecule Dynamics and Other Related Methods
Other new features and fixes
Troubleshooting
ReaxFF as an AMS engine
Technical Topics
Warnings
Included Forcefields
Included Forcefields (development)
Reparametrizing ReaxFF with the CMA-ES optimizer
Appendices
The Force Field File
trainset.in
Required Citations
OldReaxFF
Documentation
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OldReaxFF
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Appendices
Appendices
ΒΆ
The Force Field File
trainset.in