Thoughts on parameter passing through the RTDB within NWChem. Background Despite a plethora of publications (Aprà et al. 2020; Mejia-Rodriguez et al. 2023), NWChem has little to nothing in terms of developer documentation 1. For better integration over sockets with EON (described elsewhere), I ended up having to add user defined parameters, from which this short note stems. Inputs in NWChem The input file format in NWChem, like most codes of the era, consist of a keyword driven, whitespace ...
