[ADF-LIST] output partial charges

Brault Pascal pascal.brault at univ-orleans.fr
Wed Jul 21 17:41:07 CEST 2021

Dear all,
When running an AMSĀ  ReaxFF MD simulation, partical charges can be 
displayed on the screen using SCM-> Movie->Atom info -> charge -> show.
But how to get the info in an output file as it is when using geometry 
optimization ?
Thanks a lot for your help
Pascal
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.scm.com/pipermail/adflist/attachments/20210721/9eb39523/attachment.html>


More information about the ADFlist mailing list