covariance matrix for normal mode analysis

[Shenyuan Xu]

Dear developers,

I am interested in obtaining the covariance matrix for each mode from normal mode analysis. In the COV(NMA), it seems that there is no option.

I also want to extract the dynamic cross-correlation for each mode from normal mode analysis. In the "dccm"(x, nmodes = NULL, ncore = NULL, ...), it seems that the option is the total number. I guess when we set nmode=1, it calculates the cross-correlation of mode 7; nmodes=2, it calculates the cross-correlation of modes 7 and 8. But how can I get the information for specific mode?

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I really appreciate the help!

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Shenyuan Xu

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[Xinqiu Yao]

Both functions do not support calculations for specific modes. To do so, you need to extract the eigenvectors from ‘modes$U’ and follow the formula in the original papers.

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These options may be included in future versions.

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