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- Analytic computation of Hessian for EAM potentials
- Neighbor list can be used without ASE
- Python-3 compatibilty for CASTEP socket calculator
- Electrochemistry module with Poisson-Nernst-Planck solver
- Barostat for sliding systems (Tribol. Lett. 39, 49 (2010))
- Support for kinks in screw dislocations