From 35002745c36bb98ddb74cc43f245483313fff80b Mon Sep 17 00:00:00 2001 From: weilincsenccs Date: Sun, 3 Mar 2024 14:53:31 +0100 Subject: [PATCH] create empty content structures --- content/00lectures.md | 7 +++++++ content/01eqs.md | 1 + content/02elas.md | 1 + content/03alloy.md | 1 + content/04sfe.md | 1 + content/05surface.md | 1 + content/06vac.md | 1 + content/index.rst | 30 +++++++++++++++++++----------- 8 files changed, 32 insertions(+), 11 deletions(-) create mode 100644 content/00lectures.md create mode 100644 content/01eqs.md create mode 100644 content/02elas.md create mode 100644 content/03alloy.md create mode 100644 content/04sfe.md create mode 100644 content/05surface.md create mode 100644 content/06vac.md diff --git a/content/00lectures.md b/content/00lectures.md new file mode 100644 index 0000000..caad150 --- /dev/null +++ b/content/00lectures.md @@ -0,0 +1,7 @@ +# EMTO letures + + +## EMTO theory + + +## Basic About How to Run EMTO Code diff --git a/content/01eqs.md b/content/01eqs.md new file mode 100644 index 0000000..5a86bfd --- /dev/null +++ b/content/01eqs.md @@ -0,0 +1 @@ +# Equation of State of FCC Copper diff --git a/content/02elas.md b/content/02elas.md new file mode 100644 index 0000000..0f2d74e --- /dev/null +++ b/content/02elas.md @@ -0,0 +1 @@ +# Calculate Elastic Modulus of FCC Copper diff --git a/content/03alloy.md b/content/03alloy.md new file mode 100644 index 0000000..be1817a --- /dev/null +++ b/content/03alloy.md @@ -0,0 +1 @@ +# Calculation for Random Alloy with CPA diff --git a/content/04sfe.md b/content/04sfe.md new file mode 100644 index 0000000..b3a8650 --- /dev/null +++ b/content/04sfe.md @@ -0,0 +1 @@ +# Stacking Fault Energy in FCC diff --git a/content/05surface.md b/content/05surface.md new file mode 100644 index 0000000..e40bf97 --- /dev/null +++ b/content/05surface.md @@ -0,0 +1 @@ +# Surface Energy diff --git a/content/06vac.md b/content/06vac.md new file mode 100644 index 0000000..cbbb966 --- /dev/null +++ b/content/06vac.md @@ -0,0 +1 @@ +# Vacancy diff --git a/content/index.rst b/content/index.rst index adec225..822f1c5 100644 --- a/content/index.rst +++ b/content/index.rst @@ -11,15 +11,6 @@ EMTO best practices workshop All documented commands for the practices are tested on these clusters. -.. toctree:: - :maxdepth: 1 - :caption: The lesson - - -.. toctree:: - :maxdepth: 1 - :caption: Reference - .. _learner-personas: Who is the course for? @@ -52,11 +43,28 @@ Schedule About the course ---------------- +.. toctree:: + :maxdepth: 2 + :caption: EMTO lectures + + 00lectures.md + +.. toctree:: + :maxdepth: 1 + :caption: Hands-on examples + + 01eqs.md + 02elas.md + 03alloy.md + 04sfe.md + 05surface.md + 06vac.md + See also -------- -- EMTO `website `_ +- EMTO `website `_ - EMTO `Manual `_ - Book by Prof. Levente Vitos: `Computational Quantum Mechanics for Materials Engineers `_ @@ -69,7 +77,7 @@ The lesson file structure and browsing layout is inspired by and derived from `__. We have copied and adapted most of their license text. -Use of EMTO code should follow the EMTO **license** `link `_: +Use of EMTO code should follow the EMTO license (https://emto.gitlab.io/license.html): * **NO WARRANTY**: We are not responsible for any damage, defect or loss incurred as a result of operating the software. * Only **non-commercial** use allowed.