From 9b67e64e144032785e11796c8747900c2049f1e0 Mon Sep 17 00:00:00 2001 From: Simon Gravelle Date: Sun, 8 Sep 2024 18:54:00 +0200 Subject: [PATCH] changed title, tried acronyme --- README.md | 19 ++++++------------- docs/source/index.rst | 13 ++++--------- 2 files changed, 10 insertions(+), 22 deletions(-) diff --git a/README.md b/README.md index 9560626..e1c3186 100644 --- a/README.md +++ b/README.md @@ -3,13 +3,13 @@ ![Workflow Status](https://github.com/mdcourse/mdcourse.github.io/actions/workflows/tests.yml/badge.svg) ![Workflow Status](https://github.com/mdcourse/mdcourse.github.io/actions/workflows/gh-pages.yml/badge.svg) -# Learn Molecular Simulations with Python +# Step-by-Step Molecular Simulations with Python -The goal of [Learn Molecular Simulations with Python](https://mdcourse.github.io/) -is to write a simple code containing most of the basic functionalities of molecular -simulations, such as: +The goal of [Step-by-S Molecular Simulations with Python](https://mdcourse.github.io/) +(MoleSimPy) is to write a simple code containing most of the basic +functionalities of molecular simulations, including: - Energy minimization, - Molecular dynamics, - Monte Carlo move. @@ -30,9 +30,8 @@ The target audience includes people who are either completely new to molecular s or users of open-source codes such as LAMMPS and GROMACS who want to better understand what is behind those codes. Although some basic knowledge of coding, thermodynamics, and statistical physics is recommended for a full understanding of molecular simulations, -[Learn Molecular Simulations with Python](https://mdcourse.github.io/) can be followed -even without deep expertise in these fields. Annexes with key concepts and suggested -readings are provided as needed. +[MoleSimPy](https://mdcourse.github.io/) can be followed even without deep +expertise in these fields. ### What is not (yet) in the code @@ -61,9 +60,3 @@ under the Marie Skłodowska-Curie grant agreement No 101065060. All inputs, scripts, and data files are released under the GNU General Public License v3.0. The released files have been uploaded to [Zenodo](https://zenodo.org/), under its [DOI](https://zenodo.org/records/13624976). - -### TODO - -- Choose a different title? (Build Your Own Molecular Simulations with Python, - Create Molecular Simulations with Python, Construct Molecular Simulations with Python) -- Find a cool acronym. MS-PyLearn, LMS-py ? diff --git a/docs/source/index.rst b/docs/source/index.rst index 0afbdfe..55aec27 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -1,10 +1,5 @@ -.. learn-ms-with-python documentation master file, created by - sphinx-quickstart on Thu Aug 24 10:18:57 2023. - You can adapt this file completely to your liking, but it should at least - contain the root `toctree` directive. - -Learn molecular simulations with Python -======================================= +Step-by-Step Molecular Simulations with Python +============================================== .. toctree:: :maxdepth: 2 @@ -25,7 +20,7 @@ Goals :align: right :class: only-light -By following Learn Molecular Simulations with Python, you will write a simple Python +By following *Step-by-Step Molecular Simulations with Python* (MoleSimPy), you will write a simple Python code containing the most basic functionalities of molecular dynamics and Monte Carlo simulations. The main goal is to help users understand the basics of molecular simulation algorithms. @@ -43,7 +38,7 @@ Prerequisites This course is designed for complete beginners in molecular simulations, as well as for those familiar with black-box software like LAMMPS and GROMACS. Although some prior knowledge of coding and statistical physics would be useful, -Learn Molecular Simulations with Python can be followed by anyone with a computer. +MoleSimPy can be followed by anyone with a computer. .. toctree:: :maxdepth: 2