Multiwfn forum

Multiwfn official website: //www.umsyar.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

You are not logged in.

#1 Multiwfn and wavefunction analysis » How to calculate Tsallis entropy » 2021-12-22 15:36:09

nfbarrera
Replies: 1

Dear Prof. Tian Lu,

First of all, thank you very much for developing this amazing software. I am calculating different entropies in my research and now I want to calculate the Tsallis entropy, but the latter is not available in the list of real space functions, so my question is if it is possible to put somehow define the Tsallis entropy inside multiwfn and be able to calculate it? The other entropies I got by modifying the settings.ini in 'iuserfunc ='. Could you please help me?

Thank you very much,
Nicolás Barrera

Board footer

Powered by FluxBB

Baidu
map