Index of a Hessian matrix
Issue #237
resolved
Hello,
If I want to analyse my own hessian matrix in the nma analysis, what will the index of the hessian matrix need to be?
Many thanks,
Alexander
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Hi Alexander, The hessian is a 3Nx3N matrix with atom blocks located at positions with indices ((3i-2):(3i), ((3j-2):(3j)) for atoms (i, j) (e.g. (1:3, 4:6) for atoms (1, 2)).
hope this helps