From 4d007efe041b118b940a80cbfa6abb80a7460f2a Mon Sep 17 00:00:00 2001 From: "Michael F. Herbst" Date: Mon, 19 Feb 2024 14:31:28 +0100 Subject: [PATCH] Add DFTK as ab initio code --- codes.yaml | 13 +++++++++++++ 1 file changed, 13 insertions(+) diff --git a/codes.yaml b/codes.yaml index b94bc44..8effbb6 100644 --- a/codes.yaml +++ b/codes.yaml @@ -453,3 +453,16 @@ dynamics-w90: documentation_url: https://github.com/michaelschueler/dynamics-w90/wiki sourcecode_url: https://github.com/michaelschueler/dynamics-w90 logo: https://user-images.githubusercontent.com/53534090/197502799-cdeefb8c-6de6-4f3b-b52c-17af09db9849.svg + +DFTK: + categories: + - ab-initio_engines + - dmft + metadata: + description: | + The density-functional toolkit, DFTK for short, is a collection of Julia routines for plane-wave density-functional theory (DFT). The unique feature of this code is its emphasis on composability and flexibility with the goal of facilitating algorithmic and numerical developments as well as interdisciplinary collaboration in solid-state research. + sourcecode_url: https://github.com/JuliaMolSim/DFTK.jl/ + homepage_url: https://dftk.org + documentation_url: https://docs.dftk.org/ + title: DFTK + logo: https://raw.githubusercontent.com/JuliaMolSim/DFTK.jl/bb8bf8bb861bb9f29e27a7033d7ae65cf3a7344e/docs/logo/DFTK_2000x1000.png