Closed leucinw closed 2 years ago
Hi Chengwen, I just talked to Zhi about this. It may be that we won't take the pull request directly, as you have created completely new energy terms to do AMOEBA+. Instead, Zhi will need to see if he might prefer to put your AMOEBA+ code modifications directly into single existing routines and then use "templating", which might avoid some of the code duplication. We will be in touch after we've thought about this more.
Three energy terms have been added: echgtrn_aplus empole_chgpen_aplus epolar_aplus