From 96eb76f74be7718db093d3a79af22b8e05ec0c4e Mon Sep 17 00:00:00 2001 From: Christina Ertural <52951132+QuantumChemist@users.noreply.github.com> Date: Tue, 11 Feb 2025 16:18:53 +0100 Subject: [PATCH 1/4] Update index.md --- docs/index.md | 1 + 1 file changed, 1 insertion(+) diff --git a/docs/index.md b/docs/index.md index a8a0382698..085bf4de64 100644 --- a/docs/index.md +++ b/docs/index.md @@ -4,6 +4,7 @@ user/index user/install user/running-workflows +user/key_concepts_overview user/docs-schemas-emmet user/fireworks user/atomate-1-vs-2 From 336ab2783376ffba71bd48c1f9ee65e4f8d6fcf6 Mon Sep 17 00:00:00 2001 From: Christina Ertural <52951132+QuantumChemist@users.noreply.github.com> Date: Tue, 11 Feb 2025 16:19:30 +0100 Subject: [PATCH 2/4] Update README.md --- README.md | 1 + 1 file changed, 1 insertion(+) diff --git a/README.md b/README.md index 34c3923b03..edd2e8fe35 100644 --- a/README.md +++ b/README.md @@ -96,6 +96,7 @@ started: - [Introduction to running workflows][running-workflows] - [Using atomate2 with FireWorks][atomate2_fireworks] +- [Overview of key concepts][key_concepts_overview] - [List of VASP workflows][vasp_workflows] ## Need help? From e228eeb674f707718b658dea4196be5e0b88e7a6 Mon Sep 17 00:00:00 2001 From: Christina Ertural <52951132+QuantumChemist@users.noreply.github.com> Date: Tue, 11 Feb 2025 16:21:46 +0100 Subject: [PATCH 3/4] Update README.md --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index edd2e8fe35..b60d1eaa54 100644 --- a/README.md +++ b/README.md @@ -96,7 +96,7 @@ started: - [Introduction to running workflows][running-workflows] - [Using atomate2 with FireWorks][atomate2_fireworks] -- [Overview of key concepts][key_concepts_overview] +- [Overview of key concepts][key-concepts-in-atomate2-job-flow-makers-inputset-taskdocument-and-builder] - [List of VASP workflows][vasp_workflows] ## Need help? From 7eff07aa16a8cbc847327c731b4b565b7ce3fb57 Mon Sep 17 00:00:00 2001 From: Christina Ertural <52951132+QuantumChemist@users.noreply.github.com> Date: Tue, 11 Feb 2025 16:24:32 +0100 Subject: [PATCH 4/4] Update README.md --- README.md | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index b60d1eaa54..ed9498f250 100644 --- a/README.md +++ b/README.md @@ -96,7 +96,7 @@ started: - [Introduction to running workflows][running-workflows] - [Using atomate2 with FireWorks][atomate2_fireworks] -- [Overview of key concepts][key-concepts-in-atomate2-job-flow-makers-inputset-taskdocument-and-builder] +- [Overview of key concepts][key-concepts] - [List of VASP workflows][vasp_workflows] ## Need help? @@ -152,6 +152,7 @@ A journal submission of `atomate2` is undergoing peer review. In the meantime, p [contributors]: https://materialsproject.github.io/atomate2/about/contributors.html [license]: https://raw.githubusercontent.com/materialsproject/atomate2/main/LICENSE [running-workflows]: https://materialsproject.github.io/atomate2/user/running-workflows.html +[key-concepts]: https://materialsproject.github.io/atomate2/user/key_concepts_overview.html#key-concepts-in-atomate2-job-flow-makers-inputset-taskdocument-and-builder [atomate2_fireworks]: https://materialsproject.github.io/atomate2/user/fireworks.html [vasp_workflows]: https://materialsproject.github.io/atomate2/user/codes/vasp.html [RelaxBandStructure]: https://materialsproject.github.io/atomate2/user/codes/vasp.html#relax-and-band-structure