pyRMSD icon indicating copy to clipboard operation
pyRMSD copied to clipboard

implement matrixOneVsFollowing* to improve performance

Open victor-gil-sepulveda opened this issue 11 years ago • 0 comments

matrixOneVsFollowing* were added but only implemented by CUDA calculators. The need to be reimplemented to improve performance with those calculators that allow the calculation of RMSD without calculating the actual rotation.

victor-gil-sepulveda avatar Aug 01 '13 13:08 victor-gil-sepulveda