From 9af2da9acccd557e6895c36bf1316769d03ee3e8 Mon Sep 17 00:00:00 2001 From: "Alexandre C. Dias" <84574446+ac-dias@users.noreply.github.com> Date: Tue, 20 Feb 2024 18:03:23 -0300 Subject: [PATCH 1/4] Update codes.yaml please add WanTiBEXOS code in the wannier-ecosystem-registry --- codes.yaml | 15 +++++++++++++++ 1 file changed, 15 insertions(+) diff --git a/codes.yaml b/codes.yaml index b94bc44..7760e70 100644 --- a/codes.yaml +++ b/codes.yaml @@ -453,3 +453,18 @@ 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 + +WanTiBEXOS: + categories: + - tb + - bse + - berry + metadata: + description: Tight Binding package that uses MLWF-TB Hamiltonian from Wannier90, to calculate electronic, optical and excitonic properties of solids. + Our code main feature is to solve Bethe-Salpeter equation, to obtain linear optical response considering quasi-particle effects + title: WanTiBEXOS + homepage_url: https://wantibexos.readthedocs.io/en/latest/index.html + documentation_url: https://wantibexos.readthedocs.io/en/latest/index.html + source_code_url: https://github.com/ac-dias/wantibexos + logo: https://wantibexos.readthedocs.io/en/latest/_static/WantBx.png + From 3fa38d89574a60b730a6d9afb70b1d1a39f1bf7f Mon Sep 17 00:00:00 2001 From: Antimo Marrazzo Date: Wed, 21 Feb 2024 18:56:32 +0100 Subject: [PATCH 2/4] Fixed source code string for wantibexos --- codes.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/codes.yaml b/codes.yaml index 7760e70..d49b125 100644 --- a/codes.yaml +++ b/codes.yaml @@ -465,6 +465,6 @@ WanTiBEXOS: title: WanTiBEXOS homepage_url: https://wantibexos.readthedocs.io/en/latest/index.html documentation_url: https://wantibexos.readthedocs.io/en/latest/index.html - source_code_url: https://github.com/ac-dias/wantibexos + sourcecode_url: https://github.com/ac-dias/wantibexos logo: https://wantibexos.readthedocs.io/en/latest/_static/WantBx.png From 1f75c2f6d2c005229c6305c2f7b16213e449b981 Mon Sep 17 00:00:00 2001 From: Antimo Marrazzo Date: Wed, 21 Feb 2024 18:59:22 +0100 Subject: [PATCH 3/4] fixed descr of wantibexos --- codes.yaml | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/codes.yaml b/codes.yaml index d49b125..dd7f993 100644 --- a/codes.yaml +++ b/codes.yaml @@ -460,8 +460,9 @@ WanTiBEXOS: - bse - berry metadata: - description: Tight Binding package that uses MLWF-TB Hamiltonian from Wannier90, to calculate electronic, optical and excitonic properties of solids. - Our code main feature is to solve Bethe-Salpeter equation, to obtain linear optical response considering quasi-particle effects + description: | + Tight Binding package that uses MLWF-TB Hamiltonian from Wannier90, to calculate electronic, optical and excitonic properties of solids. + The main feature is to solve Bethe-Salpeter equation, to obtain linear optical response considering quasi-particle effects. title: WanTiBEXOS homepage_url: https://wantibexos.readthedocs.io/en/latest/index.html documentation_url: https://wantibexos.readthedocs.io/en/latest/index.html From d9c1037db53ffd66eeca8690d881eeb051c58208 Mon Sep 17 00:00:00 2001 From: Antimo Marrazzo Date: Wed, 21 Feb 2024 19:06:26 +0100 Subject: [PATCH 4/4] sintax errors in wantibexos --- codes.yaml | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/codes.yaml b/codes.yaml index dd7f993..4a4615b 100644 --- a/codes.yaml +++ b/codes.yaml @@ -454,15 +454,14 @@ dynamics-w90: sourcecode_url: https://github.com/michaelschueler/dynamics-w90 logo: https://user-images.githubusercontent.com/53534090/197502799-cdeefb8c-6de6-4f3b-b52c-17af09db9849.svg -WanTiBEXOS: +wantibexos: categories: - tb - bse - berry metadata: description: | - Tight Binding package that uses MLWF-TB Hamiltonian from Wannier90, to calculate electronic, optical and excitonic properties of solids. - The main feature is to solve Bethe-Salpeter equation, to obtain linear optical response considering quasi-particle effects. + Tight Binding package that uses MLWF-TB Hamiltonian from Wannier90, to calculate electronic, optical and excitonic properties of solids. The main feature is to solve Bethe-Salpeter equation, to obtain linear optical response considering quasi-particle effects. title: WanTiBEXOS homepage_url: https://wantibexos.readthedocs.io/en/latest/index.html documentation_url: https://wantibexos.readthedocs.io/en/latest/index.html