Welcome to INQ’s documentation!
Caution
This is draft documentation.
Note
INQ is under active development, visit gitlab.com/NPNEQ/inq.
INQ is an engine for electronic structure calculations. It can work in three ways, as a standalone electronic structure code, as a library to implement complex electronic structure methods, or as a proxy-app to evaluate the performance of electronic structure algorithms in high-performance computing platforms. It concentrates on algorithms as a portability hardware layer, generic types, and flexibility of usage.