Matscipy

Latest version: v1.1.1

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0.5.0

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- Sinclair flexible boundary conditions for cracks and arc-length continuation
- Bug fix in neighbour list search that lead to occasional segfaults

0.4.0

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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

0.3.0

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

0.2.0

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

0.1.4

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- Compatibility with MS C++ compiler.

0.1.3

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- Regression fix: Add C++11 compiler flag for C extension modules.

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