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dmorse / simpatico

Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids
GNU General Public License v3.0
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Preparation for non-orthogonal unit cells #1

Closed dmorse closed 12 years ago

dmorse commented 12 years ago

Changes:

1) Introduced MonoclinicBoundary class and associated test.

2) Changes to interface of OrthorhombicBoundary (coordinate transformations and minLength).

3) Preparatory changes to CellList (using dimensionless coordinates to define cells)