New factories for atomate2 WFs

abinit / abipy

Open-source library for analyzing the results produced by ABINIT

http://abinit.github.io/abipy

Other

117 stars 96 forks source link

New factories for atomate2 WFs #298

Closed VicTrqt closed 1 month ago

VicTrqt commented 1 month ago

Summary

New ddk..., dde..., and dte_fromgsinput factories as well as the corresponding make...pert_input functions. Necessary for the abinit workflows in atomate2.