Matscipy

- 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

- Analytic computation of Hessian matrix for pair potentials
- Creation of screw and edge dislocation, visualization of dislocations dislocation barrier calculation.

- QM/MM calculator.
- Neighbor list now accepts dictionary that describes cutoff distances.