RachelAlcraft / LeuciWeb

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Bader AIM #1 eigenvalues #42

Open RachelAlcraft opened 1 year ago

RachelAlcraft commented 1 year ago

Bader's Atoms In Molecules theory has the values of eigenvalues for the Laplacian as determining saddle point,m maxima, etc and hence bond paths and bond critical points (reference and be more exact). So I need to calculate the eignevalues and then I can have an alternative hue for laplacian that is on those inetad (values are just -2, -1, 0,1,2)