http://sobereva.com/wfnbbs/viewtopic.php?id=221 Fri, 27 Sep 2019 00:57:41 +0000 FluxBB http://sobereva.com/wfnbbs/viewtopic.php?pid=678#p678 The integration of functions like f(r,r') between two basins has not been implemented, sorry. (Such calculation must be extremely expensive and thus should has very limited practical value)

]]> Fri, 27 Sep 2019 00:57:41 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=678#p678 http://sobereva.com/wfnbbs/viewtopic.php?pid=677#p677 Guys, can i study the interaction between two basins in a molecule? For example, repultion and/or attraction potentials, exchange-correlation energy, between two basins?   
Thank you.

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