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mlund / faunus

A Framework for Metropolis Monte Carlo Simulation of Molecular Systems
https://faunus.readthedocs.io
MIT License
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Tensor rotation #146

Open mlund opened 5 years ago

mlund commented 5 years ago

Tensors (see particle.cpp) are currently rotated using a rotation matrix. It would be more efficient to change this to quaternions as is done for vectors (now particle rotation functions required both matrix and quaternion). Eigen transformations.

ping @bjornstenqvist

mlund commented 5 years ago

Eigen now seems to have experimental tensor support: http://eigen.tuxfamily.org/index.php?title=Tensor_support