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lab-cosmo / gle4md

Utilities to generate input parameters for Generalized Langevin Equation thermostats
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Finish spectral analysis code #2

Closed ceriottm closed 7 years ago

ceriottm commented 8 years ago

Code to compute GLE spectral analysis has been added, but all the wirings to gle-fit and gle-analyze have to be remade.

mahrossi commented 8 years ago

Are the fittings in gle-analyze only into gle-analyze.cpp? I'm onto it.

ceriottm commented 8 years ago

Well, one needs to include new optimization targets in libglefit.cpp and in glefit.hpp, both for the spectral disturbance to the actual single frequency case (harm_check, we could call them wspecq, sspecq, ispecq, wspecp, sspecp, ispecp) and for rp_check (rp_wspecq, rp_sspecq, .... ) Furthermore one should also add for harm_check the "main peak indicators", that is re, im , resq, resp for the main pole. Thanks!

On 23 September 2016 at 11:38, Mariana Rossi notifications@github.com wrote:

Are the fittings in gle-analyze only into gle-analyze.cpp? I'm onto it.

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mahrossi commented 8 years ago

yes yes i called them differently but i think i finished