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Fix absorption spectrum calculation for Molecules and Aggregates (for FG project) #3

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tmancal74 opened this issue Sep 19, 2016 · 2 comments
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Fix absorption spectrum calculation for Molecules and Aggregates (for FG project) #3

tmancal74 opened this issue Sep 19, 2016 · 2 comments
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tmancal74 commented Sep 19, 2016 •
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Absorption spectrum for an aggregate is calculated in a wrong way. There is some shift in the indices of states which leads to a wrong assignment of dipole moments to excitonic states
@tmancal74 tmancal74 added the bug label Sep 19, 2016
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One problem in Abs class fixed. Waiting for tests (to be developed)

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Now tested manually, and confirmed a fix.

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