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CPPTRAJ should be more flexible in how it deals with mass-weighted covariance matrices

Open drroe opened this issue 7 years ago • 0 comments

Currently during diagmatrix eigenvalues calculated from a mass-weighted covariance matrix are always converted to frequencies. There should be an option not to do this, and if it happens things like modes should properly correct for it.

drroe avatar Aug 01 '18 17:08 drroe