From a6dc5bfc31d3ae50f0ff1bb48db0e30dc8652b00 Mon Sep 17 00:00:00 2001 From: celinehalkali Date: Tue, 26 Nov 2024 15:23:54 +0000 Subject: [PATCH 1/4] test --- docs/user/installation/installation.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/user/installation/installation.md b/docs/user/installation/installation.md index b787f6312..e09f6bbe7 100644 --- a/docs/user/installation/installation.md +++ b/docs/user/installation/installation.md @@ -17,7 +17,7 @@ This involves the following software packages: We are also referring the user to the [installation guide of atomate2](https://materialsproject.github.io/atomate2/user/install.html) in order to setup the mandatory prerequisites to be able to use `autoplex`. -After setting up `atomate2`, make sure to add `VASP_INCAR_UPDATES: {"NPAR": number}` in your ~/atomate2/config/atomate2.yaml file. +After setting up `atomate2`, make sure to add `VASP_INCAR_UPDATES: {"NPAR": number}` in your ~/atomate2/config/atomate2.yaml file. Set a number that is a divisor of the number of tasks you use for the VASP calculations. From abae22ccc274bc2f421ce4e2460d415e8a828a9f Mon Sep 17 00:00:00 2001 From: celinehalkali Date: Tue, 26 Nov 2024 16:10:19 +0000 Subject: [PATCH 2/4] Added to contributors. --- docs/about/contributors.md | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/docs/about/contributors.md b/docs/about/contributors.md index 0601d0a78..325e78d92 100644 --- a/docs/about/contributors.md +++ b/docs/about/contributors.md @@ -58,6 +58,11 @@ University of Oxford [MorrowChem]: https://github.com/morrowchem [0000-0002-3441-8646]: https://orcid.org/0000-0002-3441-8646 +**Celine Halkali** [![gh]][celinehalkali] (Documentation)\ +Montanuniversität Leoben + +[celinehalkali]: https://github.com/celinehalkali + We welcome contributions from other researchers! If you would like to contribute, please see the `How to contribute` guidelines. From 2ab072eef3357c19c038dfb47a9ae837e72da64b Mon Sep 17 00:00:00 2001 From: celinehalkali <114412087+celinehalkali@users.noreply.github.com> Date: Tue, 26 Nov 2024 16:20:34 +0000 Subject: [PATCH 3/4] test test commit Co-authored-by: Christina Ertural <52951132+QuantumChemist@users.noreply.github.com> --- docs/user/installation/installation.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/user/installation/installation.md b/docs/user/installation/installation.md index e09f6bbe7..ab273f947 100644 --- a/docs/user/installation/installation.md +++ b/docs/user/installation/installation.md @@ -18,7 +18,7 @@ We are also referring the user to the [installation guide of atomate2](https://m be able to use `autoplex`. After setting up `atomate2`, make sure to add `VASP_INCAR_UPDATES: {"NPAR": number}` in your ~/atomate2/config/atomate2.yaml file. -Set a number that is a divisor of the number of tasks you use for the VASP calculations. +Set a number that is a divisor of the number of tasks you use for the VASP calculations! ## Installation Documentation and Guides of the Dependencies From ea966dfa6a7527aa261e01dff489a7d29e4a0de7 Mon Sep 17 00:00:00 2001 From: celinehalkali Date: Tue, 26 Nov 2024 16:24:07 +0000 Subject: [PATCH 4/4] Undo test commit --- docs/user/installation/installation.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/user/installation/installation.md b/docs/user/installation/installation.md index ab273f947..e09f6bbe7 100644 --- a/docs/user/installation/installation.md +++ b/docs/user/installation/installation.md @@ -18,7 +18,7 @@ We are also referring the user to the [installation guide of atomate2](https://m be able to use `autoplex`. After setting up `atomate2`, make sure to add `VASP_INCAR_UPDATES: {"NPAR": number}` in your ~/atomate2/config/atomate2.yaml file. -Set a number that is a divisor of the number of tasks you use for the VASP calculations! +Set a number that is a divisor of the number of tasks you use for the VASP calculations. ## Installation Documentation and Guides of the Dependencies