diff --git a/Makefile b/Makefile deleted file mode 100644 index 7515d21401c..00000000000 --- a/Makefile +++ /dev/null @@ -1,9 +0,0 @@ -%.html: %.md template.html metadata.yml assets/css/style.css - pandoc "$<" --template "$<" --metadata-file=metadata.yml | pandoc --template "template.html" --metadata-file=metadata.yml -c "assets/css/style.css" --write=html5 -o "$@" - @sed -i 's/<\/a> | <a href/<\/a> |\n<a href/g' "$@" - -tutorials.md: tutorials.py tutorials_header.md build/doc/tutorials/Readme.md - python3 "$<" - -videos.md: videos.py videos_header.md build/doc/tutorials/Readme.md - python3 "$<" diff --git a/Readme.html b/Readme.html new file mode 100644 index 00000000000..43405e793a9 --- /dev/null +++ b/Readme.html @@ -0,0 +1,86 @@ +<!DOCTYPE html> +<html xmlns="http://www.w3.org/1999/xhtml" lang="en_US" xml:lang="en_US"> +<head> + <meta http-equiv="content-type" content="text/html; charset=UTF-8"> + <meta charset="utf-8" /> + <meta http-equiv="X-UA-Compatible" content="IE=edge"> + <meta name="viewport" content="width=device-width,maximum-scale=2"> + <meta name="generator" content="pandoc" /> + <style type="text/css"> + </style> + <link rel="stylesheet" href="assets/css/style.css" /> + +<!-- Begin Jekyll SEO tag v2.7.1 --> +<title>ESPResSo documentation | ESPResSo</title> +<meta name="generator" content="Jekyll v3.9.0"> +<meta property="og:title" content="ESPResSo documentation | ESPResSo"> +<meta property="og:locale" content="en_US"> +<meta name="description" content="Extensible Simulation Package for +Research on Soft Matter Systems"> +<meta property="og:description" content="Extensible Simulation Package +for Research on Soft Matter Systems"> +<link rel="canonical" href="https://espressomd.github.io"> +<meta property="og:url" content="https://espressomd.github.io"> +<meta property="og:site_name" content="ESPResSo"> +<script type="application/ld+json"> +{"description":"Extensible Simulation Package for Research on Soft +Matter +Systems","url":"https://espressomd.github.io","@type":"WebSite","publisher":{"@type":"Organization","logo":{"@type":"ImageObject","url":"https://github.com/espressomd/espresso/blob/python/doc/logo/logo_500x500.png"}},"headline":"ESPResSo +documentation","name":"ESPResSo","@context":"https://schema.org"}</script> +<!-- End Jekyll SEO tag --> +</head> +<body> + + + <!-- HEADER --> + <div id="header_wrap" class="outer"> + <header class="inner"> + <a id="forkme_banner" href="https://github.com/espressomd/espresso">View on GitHub</a> + + <h1 id="project_title">ESPResSo</h1> + <h2 id="project_tagline">Extensible Simulation Package for Research on Soft Matter Systems</h2> + + <section id="downloads"> + <a class="tar_download_link" href="https://github.com/espressomd/espresso/releases/download/4.2.2/espresso-4.2.2.tar.gz">Download this project as a tar.gz file</a> + </section> + + </header> + </div> + + <!-- MAIN CONTENT --> + <div id="main_content_wrap" class="outer"> + <section id="main_content" class="inner"> + +<h1 id="espresso-documentation">ESPResSo documentation</h1> +<p>These GitHub Pages provide the user manuals of every ESPResSo release +since 4.0.0 as well as the user guide, tutorials and doxygen +documentation of the development branch of ESPResSo (updated during +nightly builds). When adding a new release, update the +<code>latest_release</code> variable in file +<code>metadata.yml</code>.</p> +<p>The material is generated automatically from ESPResSo sources +licensed under the <a +href="https://www.gnu.org/licenses/gpl-3.0.en.html">GNU GPL 3</a>, +unless stated otherwise. The theme files were obtained from +jekyll-theme-slate, available at <a +href="https://github.com/pages-themes/slate">pages-themes/slate</a> and +licensed under the <a +href="http://creativecommons.org/publicdomain/zero/1.0/">CC0 1.0 +Universal</a>. The Jekyll template was generated with Jekyll 3.9.0.</p> + + </section> + </div> + + <!-- FOOTER --> + <div id="footer_wrap" class="outer"> + <footer class="inner"> + + <p class="copyright">ESPResSo maintained by <a href="https://github.com/espressomd">espressomd</a></p> + + <p>Published with <a href="https://pages.github.com/">GitHub Pages</a></p> + </footer> + </div> + + +</body> +</html> diff --git a/Readme.md b/Readme.md deleted file mode 100644 index de464b91a13..00000000000 --- a/Readme.md +++ /dev/null @@ -1,13 +0,0 @@ -# ESPResSo documentation - -These GitHub Pages provide the user manuals of every ESPResSo release since -4.0.0 as well as the user guide, tutorials and doxygen documentation of the -development branch of ESPResSo (updated during nightly builds). When adding -a new release, update the `latest_release` variable in file `metadata.yml`. - -The material is generated automatically from ESPResSo sources licensed under -the [GNU GPL 3](https://www.gnu.org/licenses/gpl-3.0.en.html), unless stated -otherwise. The theme files were obtained from jekyll-theme-slate, available -at [pages-themes/slate](https://github.com/pages-themes/slate) and licensed -under the [CC0 1.0 Universal](http://creativecommons.org/publicdomain/zero/1.0/). -The Jekyll template was generated with Jekyll 3.9.0. diff --git a/index.html b/index.html new file mode 100644 index 00000000000..3905911f095 --- /dev/null +++ b/index.html @@ -0,0 +1,102 @@ +<!DOCTYPE html> +<html xmlns="http://www.w3.org/1999/xhtml" lang="en_US" xml:lang="en_US"> +<head> + <meta http-equiv="content-type" content="text/html; charset=UTF-8"> + <meta charset="utf-8" /> + <meta http-equiv="X-UA-Compatible" content="IE=edge"> + <meta name="viewport" content="width=device-width,maximum-scale=2"> + <meta name="generator" content="pandoc" /> + <style type="text/css"> + </style> + <link rel="stylesheet" href="assets/css/style.css" /> + +<!-- Begin Jekyll SEO tag v2.7.1 --> +<title>ESPResSo documentation | ESPResSo</title> +<meta name="generator" content="Jekyll v3.9.0"> +<meta property="og:title" content="ESPResSo documentation | ESPResSo"> +<meta property="og:locale" content="en_US"> +<meta name="description" content="Extensible Simulation Package for +Research on Soft Matter Systems"> +<meta property="og:description" content="Extensible Simulation Package +for Research on Soft Matter Systems"> +<link rel="canonical" href="https://espressomd.github.io"> +<meta property="og:url" content="https://espressomd.github.io"> +<meta property="og:site_name" content="ESPResSo"> +<script type="application/ld+json"> +{"description":"Extensible Simulation Package for Research on Soft +Matter +Systems","url":"https://espressomd.github.io","@type":"WebSite","publisher":{"@type":"Organization","logo":{"@type":"ImageObject","url":"https://github.com/espressomd/espresso/blob/python/doc/logo/logo_500x500.png"}},"headline":"ESPResSo +documentation","name":"ESPResSo","@context":"https://schema.org"}</script> +<!-- End Jekyll SEO tag --> +</head> +<body> + + + <!-- HEADER --> + <div id="header_wrap" class="outer"> + <header class="inner"> + <a id="forkme_banner" href="https://github.com/espressomd/espresso">View on GitHub</a> + + <h1 id="project_title">ESPResSo</h1> + <h2 id="project_tagline">Extensible Simulation Package for Research on Soft Matter Systems</h2> + + <section id="downloads"> + <a class="tar_download_link" href="https://github.com/espressomd/espresso/releases/download/4.2.2/espresso-4.2.2.tar.gz">Download this project as a tar.gz file</a> + </section> + + </header> + </div> + + <!-- MAIN CONTENT --> + <div id="main_content_wrap" class="outer"> + <section id="main_content" class="inner"> + +<h1 id="user-guide">User guide</h1> +<ul> +<li>For <a href="doc/index.html">ESPResSo devel</a></li> +<li>For <a href="doc4.2.2/index.html">ESPResSo 4.2.2</a></li> +</ul> +<h1 id="tutorials">Tutorials</h1> +<ul> +<li>For <a href="tutorials.html">ESPResSo devel</a></li> +<li>For <a href="tutorials4.2.2.html">ESPResSo 4.2.2</a></li> +<li><a href="videos.html">Online videos</a></li> +</ul> +<h1 id="development">Development</h1> +<ul> +<li><a href="https://github.com/espressomd/espresso/wiki">Developer’s +Guide</a></li> +<li><a href="dox/index.html">Doxygen documentation</a></li> +</ul> +<h1 id="further-documentation">Further documentation</h1> +<ul> +<li><a href="quickstart.html">Quickstart</a></li> +<li><a +href="https://github.com/espressomd/espresso/wiki/Installation-FAQ">Installation +FAQ</a></li> +<li><a +href="https://github.com/espressomd/espresso/wiki/Filing-bug-reports">Filing +bug reports</a></li> +<li><a href="http://espressomd.org/wordpress/?page_id=79">User’s Mailing +List</a> (<a +href="http://lists.nongnu.org/archive/html/espressomd-users/">archives</a>)</li> +<li><a href="http://espressomd.org/wordpress/">ESPResSo official +website</a></li> +</ul> + + </section> + </div> + + <!-- FOOTER --> + <div id="footer_wrap" class="outer"> + <footer class="inner"> + + <p class="copyright">ESPResSo maintained by <a href="https://github.com/espressomd">espressomd</a></p> + + <p>Published with <a href="https://pages.github.com/">GitHub Pages</a></p> + </footer> + </div> + + +</body> +</html> diff --git a/index.md b/index.md deleted file mode 100644 index 9950bed4534..00000000000 --- a/index.md +++ /dev/null @@ -1,28 +0,0 @@ -# User guide - -* For [ESPResSo devel](doc/index.html) -$if(latest_release)$ -* For [ESPResSo $latest_release$](doc$latest_release$/index.html) -$endif$ - -# Tutorials - -* For [ESPResSo devel](tutorials.html) -$if(latest_release)$ -* For [ESPResSo $latest_release$](tutorials$latest_release$.html) -$endif$ -* [Online videos](videos.html) - -# Development - -* [Developer's Guide](https://github.com/espressomd/espresso/wiki) -* [Doxygen documentation](dox/index.html) - -# Further documentation - -* [Quickstart](quickstart.html) -* [Installation FAQ](https://github.com/espressomd/espresso/wiki/Installation-FAQ) -* [Filing bug reports](https://github.com/espressomd/espresso/wiki/Filing-bug-reports) -* [User's Mailing List](http://espressomd.org/wordpress/?page_id=79) - ([archives](http://lists.nongnu.org/archive/html/espressomd-users/)) -* [ESPResSo official website](http://espressomd.org/wordpress/) diff --git a/quickstart.html b/quickstart.html new file mode 100644 index 00000000000..c5f93a28f3e --- /dev/null +++ b/quickstart.html @@ -0,0 +1,82 @@ +<!DOCTYPE html> +<html xmlns="http://www.w3.org/1999/xhtml" lang="en_US" xml:lang="en_US"> +<head> + <meta http-equiv="content-type" content="text/html; charset=UTF-8"> + <meta charset="utf-8" /> + <meta http-equiv="X-UA-Compatible" content="IE=edge"> + <meta name="viewport" content="width=device-width,maximum-scale=2"> + <meta name="generator" content="pandoc" /> + <style type="text/css"> + </style> + <link rel="stylesheet" href="assets/css/style.css" /> + +<!-- Begin Jekyll SEO tag v2.7.1 --> +<title>ESPResSo documentation | ESPResSo</title> +<meta name="generator" content="Jekyll v3.9.0"> +<meta property="og:title" content="ESPResSo documentation | ESPResSo"> +<meta property="og:locale" content="en_US"> +<meta name="description" content="Extensible Simulation Package for +Research on Soft Matter Systems"> +<meta property="og:description" content="Extensible Simulation Package +for Research on Soft Matter Systems"> +<link rel="canonical" href="https://espressomd.github.io"> +<meta property="og:url" content="https://espressomd.github.io"> +<meta property="og:site_name" content="ESPResSo"> +<script type="application/ld+json"> +{"description":"Extensible Simulation Package for Research on Soft +Matter +Systems","url":"https://espressomd.github.io","@type":"WebSite","publisher":{"@type":"Organization","logo":{"@type":"ImageObject","url":"https://github.com/espressomd/espresso/blob/python/doc/logo/logo_500x500.png"}},"headline":"ESPResSo +documentation","name":"ESPResSo","@context":"https://schema.org"}</script> +<!-- End Jekyll SEO tag --> +</head> +<body> + + + <!-- HEADER --> + <div id="header_wrap" class="outer"> + <header class="inner"> + <a id="forkme_banner" href="https://github.com/espressomd/espresso">View on GitHub</a> + + <h1 id="project_title">ESPResSo</h1> + <h2 id="project_tagline">Extensible Simulation Package for Research on Soft Matter Systems</h2> + + <section id="downloads"> + <a class="tar_download_link" href="https://github.com/espressomd/espresso/releases/download/4.2.2/espresso-4.2.2.tar.gz">Download this project as a tar.gz file</a> + </section> + + </header> + </div> + + <!-- MAIN CONTENT --> + <div id="main_content_wrap" class="outer"> + <section id="main_content" class="inner"> + +<h1 id="quickstart">Quickstart</h1> +<p>New users should follow these steps to get <strong>ESPResSo</strong> +running:</p> +<ol type="1"> +<li>Check the <a href="doc/installation.html#requirements">installation +requirements</a> for your operating system</li> +<li><a href="https://espressomd.org/wordpress/download/">Download +<strong>ESPResSo</strong></a></li> +<li><a href="doc/installation.html#quick-installation">Build +<strong>ESPResSo</strong></a></li> +<li>Run your script with <code>./pypresso my_script.py</code></li> +</ol> + + </section> + </div> + + <!-- FOOTER --> + <div id="footer_wrap" class="outer"> + <footer class="inner"> + + <p class="copyright">ESPResSo maintained by <a href="https://github.com/espressomd">espressomd</a></p> + + <p>Published with <a href="https://pages.github.com/">GitHub Pages</a></p> + </footer> + </div> + + +</body> +</html> diff --git a/quickstart.md b/quickstart.md deleted file mode 100644 index 7f4dd3a6581..00000000000 --- a/quickstart.md +++ /dev/null @@ -1,8 +0,0 @@ -# Quickstart - -New users should follow these steps to get **ESPResSo** running: - -1. Check the [installation requirements](doc/installation.html#requirements) for your operating system -2. [Download **ESPResSo**](https://espressomd.org/wordpress/download/) -3. [Build **ESPResSo**](doc/installation.html#quick-installation) -4. Run your script with `./pypresso my_script.py` diff --git a/tutorials.html b/tutorials.html new file mode 100644 index 00000000000..b1356aefaf6 --- /dev/null +++ b/tutorials.html @@ -0,0 +1,155 @@ +<!DOCTYPE html> +<html xmlns="http://www.w3.org/1999/xhtml" lang="en_US" xml:lang="en_US"> +<head> + <meta http-equiv="content-type" content="text/html; charset=UTF-8"> + <meta charset="utf-8" /> + <meta http-equiv="X-UA-Compatible" content="IE=edge"> + <meta name="viewport" content="width=device-width,maximum-scale=2"> + <meta name="generator" content="pandoc" /> + <style type="text/css"> + </style> + <link rel="stylesheet" href="assets/css/style.css" /> + +<!-- Begin Jekyll SEO tag v2.7.1 --> +<title>ESPResSo documentation | ESPResSo</title> +<meta name="generator" content="Jekyll v3.9.0"> +<meta property="og:title" content="ESPResSo documentation | ESPResSo"> +<meta property="og:locale" content="en_US"> +<meta name="description" content="Extensible Simulation Package for +Research on Soft Matter Systems"> +<meta property="og:description" content="Extensible Simulation Package +for Research on Soft Matter Systems"> +<link rel="canonical" href="https://espressomd.github.io"> +<meta property="og:url" content="https://espressomd.github.io"> +<meta property="og:site_name" content="ESPResSo"> +<script type="application/ld+json"> +{"description":"Extensible Simulation Package for Research on Soft +Matter +Systems","url":"https://espressomd.github.io","@type":"WebSite","publisher":{"@type":"Organization","logo":{"@type":"ImageObject","url":"https://github.com/espressomd/espresso/blob/python/doc/logo/logo_500x500.png"}},"headline":"ESPResSo +documentation","name":"ESPResSo","@context":"https://schema.org"}</script> +<!-- End Jekyll SEO tag --> +</head> +<body> + + + <!-- HEADER --> + <div id="header_wrap" class="outer"> + <header class="inner"> + <a id="forkme_banner" href="https://github.com/espressomd/espresso">View on GitHub</a> + + <h1 id="project_title">ESPResSo</h1> + <h2 id="project_tagline">Extensible Simulation Package for Research on Soft Matter Systems</h2> + + <section id="downloads"> + <a class="tar_download_link" href="https://github.com/espressomd/espresso/releases/download/4.2.2/espresso-4.2.2.tar.gz">Download this project as a tar.gz file</a> + </section> + + </header> + </div> + + <!-- MAIN CONTENT --> + <div id="main_content_wrap" class="outer"> + <section id="main_content" class="inner"> + +<h1 id="tutorials">Tutorials</h1> +<p>All tutorials are available as Jupyter notebooks and can be found in +<code>doc/tutorials/</code> in the source code and <a +href="https://github.com/espressomd/espresso/tree/python/doc/tutorials">on +GitHub</a>.</p> +<p><a href="https://mybinder.org/v2/gh/jngrad/espresso-binder/HEAD"><img +src="https://mybinder.org/badge_logo.svg" +alt="Launch with Binder" /></a> <a +href="https://gitpod.io/#https://github.com/espressomd/espresso"><img +src="https://img.shields.io/badge/launch-Gitpod-908a85?logo=gitpod" +alt="Launch with Gitpod" /></a></p> +<h3 id="introductory-tutorials">Introductory tutorials</h3> +<ul> +<li><strong>Simulate a simple Lennard-Jones liquid</strong><br /> +Modelling of a single-component and a two-component Lennard-Jones +liquid.<br /> +<a href="tutorials/lennard_jones/lennard_jones.html">Guide</a></li> +<li><strong>Error analysis</strong><br /> +Statistical analysis of simulation results<br /> +Guide <a href="tutorials/error_analysis/error_analysis_part1.html">Part +1</a> | <a +href="tutorials/error_analysis/error_analysis_part2.html">Part +2</a></li> +<li><strong>Visualization</strong><br /> +Using the online visualizers of ESPResSo.<br /> +<a href="tutorials/visualization/visualization.html">Guide</a></li> +</ul> +<h3 id="intermediate-tutorials">Intermediate tutorials</h3> +<ul> +<li><strong>Charged systems</strong><br /> +Modelling of ion condensation around a charged rod.<br /> +<a href="tutorials/charged_system/charged_system.html">Guide</a></li> +<li><strong>Langevin dynamics</strong><br /> +Modelling of Brownian motion and measurement of diffusion +coefficients.<br /> +<a +href="tutorials/langevin_dynamics/langevin_dynamics.html">Guide</a></li> +<li><strong>Ferrofluid</strong><br /> +Modelling of a monolayer ferrofluid system.<br /> +Guide <a href="tutorials/ferrofluid/ferrofluid_part1.html">Part 1</a> | +<a href="tutorials/ferrofluid/ferrofluid_part2.html">Part 2</a> | <a +href="tutorials/ferrofluid/ferrofluid_part3.html">Part 3</a></li> +<li><strong>Lattice-Boltzmann</strong><br /> +Simulations including hydrodynamic interactions using the +Lattice-Boltzmann method.<br /> +Guide <a +href="tutorials/lattice_boltzmann/lattice_boltzmann_theory.html">Part +1</a> | <a +href="tutorials/lattice_boltzmann/lattice_boltzmann_poiseuille_flow.html">Part +2</a> | <a +href="tutorials/lattice_boltzmann/lattice_boltzmann_sedimentation.html">Part +3</a></li> +<li><strong>Polymers</strong><br /> +Modelling polymers with hydrodynamic interactions.<br /> +<a href="tutorials/polymers/polymers.html">Guide</a></li> +<li><strong>Raspberry electrophoresis</strong><br /> +Extended objects in a Lattice-Boltzmann fluid, raspberry +particles.<br /> +<a +href="tutorials/raspberry_electrophoresis/raspberry_electrophoresis.html">Guide</a></li> +</ul> +<h3 id="advanced-tutorials">Advanced tutorials</h3> +<ul> +<li><strong>Active matter</strong><br /> +Modelling of self-propelling particles.<br /> +<a href="tutorials/active_matter/active_matter.html">Guide</a></li> +<li><strong>Electrokinetics</strong><br /> +Modelling electrokinetics together with hydrodynamic interactions.<br /> +<a href="tutorials/electrokinetics/electrokinetics.html">Guide</a></li> +<li><strong>Electrodes</strong><br /> +Modelling electrodes and measuring differential capacitance with the ELC +method.<br /> +<a href="tutorials/electrodes/electrodes_part1.html">Part 1</a> | <a +href="tutorials/electrodes/electrodes_part2.html">Part 2</a></li> +<li><strong>Constant pH method</strong><br /> +Modelling an acid dissociation curve using the constant pH method.<br /> +<a href="tutorials/constant_pH/constant_pH.html">Guide</a></li> +<li><strong>Widom particle insertion method</strong><br /> +Measuring the excess chemical potential of a salt solution using the +Widom particle insertion method.<br /> +<a href="tutorials/widom_insertion/widom_insertion.html">Guide</a></li> +<li><strong>Grand-Canonical Monte Carlo</strong> Simulating a +polyelectrolyte solution coupled to a reservoir of salt. <a +href="tutorials/grand_canonical_monte_carlo/grand_canonical_monte_carlo.html">Guide</a></li> +</ul> + + </section> + </div> + + <!-- FOOTER --> + <div id="footer_wrap" class="outer"> + <footer class="inner"> + + <p class="copyright">ESPResSo maintained by <a href="https://github.com/espressomd">espressomd</a></p> + + <p>Published with <a href="https://pages.github.com/">GitHub Pages</a></p> + </footer> + </div> + + +</body> +</html> diff --git a/tutorials.py b/tutorials.py deleted file mode 100644 index 4365da5cf1a..00000000000 --- a/tutorials.py +++ /dev/null @@ -1,41 +0,0 @@ -# -# Copyright (C) 2021 The ESPResSo project -# -# This file is part of ESPResSo. -# -# ESPResSo is free software: you can redistribute it and/or modify -# it under the terms of the GNU General Public License as published by -# the Free Software Foundation, either version 3 of the License, or -# (at your option) any later version. -# -# ESPResSo is distributed in the hope that it will be useful, -# but WITHOUT ANY WARRANTY; without even the implied warranty of -# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the -# GNU General Public License for more details. -# -# You should have received a copy of the GNU General Public License -# along with this program. If not, see <http://www.gnu.org/licenses/>. -# -""" -This script generates the landing page for tutorials. -""" - -import re - -marker_begin = '[comment]: # (Begin of tutorials landing page)' -marker_end = '[comment]: # (End of tutorials landing page)' - -with open('build/doc/tutorials/Readme.md') as f: - content = f.read() - -assert marker_begin in content, f'Readme.md is missing "{marker_begin}"' -assert marker_end in content, f'Readme.md is missing "{marker_end}"' -tutorial_descriptions = content.split(marker_begin)[1].split(marker_end)[0] -tutorial_descriptions = tutorial_descriptions.replace('.ipynb', '.html') -tutorial_descriptions = re.sub(r"\]\((?!https?://)", '](tutorials/', tutorial_descriptions) - -with open('tutorials_header.md', 'r') as f: - tutorial_header = f.read() - -with open('tutorials.md', 'w') as f: - f.write(tutorial_header + tutorial_descriptions) diff --git a/tutorials4.1.4.html b/tutorials4.1.4.html new file mode 100644 index 00000000000..2d6962e1a73 --- /dev/null +++ b/tutorials4.1.4.html @@ -0,0 +1,146 @@ +<!DOCTYPE html> +<html xmlns="http://www.w3.org/1999/xhtml" lang="en_US" xml:lang="en_US"> +<head> + <meta http-equiv="content-type" content="text/html; charset=UTF-8"> + <meta charset="utf-8" /> + <meta http-equiv="X-UA-Compatible" content="IE=edge"> + <meta name="viewport" content="width=device-width,maximum-scale=2"> + <meta name="generator" content="pandoc" /> + <style type="text/css"> + </style> + <link rel="stylesheet" href="assets/css/style.css" /> + +<!-- Begin Jekyll SEO tag v2.7.1 --> +<title>ESPResSo documentation | ESPResSo</title> +<meta name="generator" content="Jekyll v3.9.0"> +<meta property="og:title" content="ESPResSo documentation | ESPResSo"> +<meta property="og:locale" content="en_US"> +<meta name="description" content="Extensible Simulation Package for +Research on Soft Matter Systems"> +<meta property="og:description" content="Extensible Simulation Package +for Research on Soft Matter Systems"> +<link rel="canonical" href="https://espressomd.github.io"> +<meta property="og:url" content="https://espressomd.github.io"> +<meta property="og:site_name" content="ESPResSo"> +<script type="application/ld+json"> +{"description":"Extensible Simulation Package for Research on Soft +Matter +Systems","url":"https://espressomd.github.io","@type":"WebSite","publisher":{"@type":"Organization","logo":{"@type":"ImageObject","url":"https://github.com/espressomd/espresso/blob/python/doc/logo/logo_500x500.png"}},"headline":"ESPResSo +documentation","name":"ESPResSo","@context":"https://schema.org"}</script> +<!-- End Jekyll SEO tag --> +</head> +<body> + + + <!-- HEADER --> + <div id="header_wrap" class="outer"> + <header class="inner"> + <a id="forkme_banner" href="https://github.com/espressomd/espresso">View on GitHub</a> + + <h1 id="project_title">ESPResSo</h1> + <h2 id="project_tagline">Extensible Simulation Package for Research on Soft Matter Systems</h2> + + <section id="downloads"> + <a class="tar_download_link" href="https://github.com/espressomd/espresso/releases/download/4.2.2/espresso-4.2.2.tar.gz">Download this project as a tar.gz file</a> + </section> + + </header> + </div> + + <!-- MAIN CONTENT --> + <div id="main_content_wrap" class="outer"> + <section id="main_content" class="inner"> + +<h1 id="tutorials-for-espresso-4.1.4">Tutorials for ESPResSo 4.1.4</h1> +<p>All tutorials are available as Jupyter notebooks and can be found in +<code>doc/tutorials/</code> in the source code and <a +href="https://github.com/espressomd/espresso/tree/4.1.4/doc/tutorials">on +GitHub</a>.</p> +<h4 id="introductory-tutorials">Introductory tutorials</h4> +<ul> +<li><strong>Simulate a simple Lennard-Jones liquid</strong><br /> +Modelling of a single-component and a two-component Lennard-Jones +liquid.<br /> +<a +href="tutorials4.1.4/01-lennard_jones/01-lennard_jones.html">Guide</a></li> +<li><strong>Visualization</strong><br /> +Using the online visualizers of ESPResSo.<br /> +<a +href="tutorials4.1.4/08-visualization/08-visualization.html">Guide</a></li> +</ul> +<h4 id="intermediate-tutorials">Intermediate tutorials</h4> +<ul> +<li><strong>Charged systems</strong><br /> +Modelling of charged systems such as ionic crystals.<br /> +Guide <a +href="tutorials4.1.4/02-charged_system/02-charged_system-1.html">Part +1</a> <a +href="tutorials4.1.4/02-charged_system/02-charged_system-2.html">Part +2</a></li> +<li><strong>Ferrofluid</strong><br /> +Modelling of a monolayer ferrofluid system.<br /> +Guide <a +href="tutorials4.1.4/11-ferrofluid/11-ferrofluid_part1.html">Part 1</a> +| <a href="tutorials4.1.4/11-ferrofluid/11-ferrofluid_part2.html">Part +2</a> | <a +href="tutorials4.1.4/11-ferrofluid/11-ferrofluid_part3.html">Part +3</a></li> +<li><strong>Lattice-Boltzmann</strong><br /> +Simulations including hydrodynamic interactions using the +Lattice-Boltzmann method.<br /> +Guide <a +href="tutorials4.1.4/04-lattice_boltzmann/04-lattice_boltzmann_part1.html">Part +1</a> | <a +href="tutorials4.1.4/04-lattice_boltzmann/04-lattice_boltzmann_part2.html">Part +2</a> | <a +href="tutorials4.1.4/04-lattice_boltzmann/04-lattice_boltzmann_part3.html">Part +3</a> | <a +href="tutorials4.1.4/04-lattice_boltzmann/04-lattice_boltzmann_part4.html">Part +4</a></li> +<li><strong>Raspberry electrophoresis</strong><br /> +Extended objects in a Lattice-Boltzmann fluid, raspberry +particles.<br /> +<a +href="tutorials4.1.4/05-raspberry_electrophoresis/05-raspberry_electrophoresis.html">Guide</a></li> +</ul> +<h4 id="advanced-tutorials">Advanced tutorials</h4> +<ul> +<li><strong>Active matter</strong><br /> +Modelling of self-propelling particles.<br /> +<a +href="tutorials4.1.4/06-active_matter/06-active_matter.html">Guide</a> | +<a +href="https://github.com/espressomd/espresso/tree/4.1.4/doc/tutorials/06-active_matter/EXERCISES">Exercises</a> +| <a +href="https://github.com/espressomd/espresso/tree/4.1.4/doc/tutorials/06-active_matter/SOLUTIONS">Solutions</a></li> +<li><strong>Electrokinetics</strong><br /> +Modelling electrokinetics together with hydrodynamic interactions.<br /> +<a +href="tutorials4.1.4/07-electrokinetics/07-electrokinetics.html">Guide</a></li> +<li><strong>Constant pH method</strong><br /> +Modelling an acid dissociation curve using the constant pH method.<br /> +<a +href="tutorials4.1.4/12-constant_pH/12-constant_pH.html">Guide</a></li> +<li><strong>Reaction Ensemble method</strong><br /> +Modelling an acid dissociation curve using the reaction ensemble +method.<br /> +<a +href="tutorials4.1.4/10-reaction_ensemble/10-reaction_ensemble.html">Guide</a></li> +</ul> + + </section> + </div> + + <!-- FOOTER --> + <div id="footer_wrap" class="outer"> + <footer class="inner"> + + <p class="copyright">ESPResSo maintained by <a href="https://github.com/espressomd">espressomd</a></p> + + <p>Published with <a href="https://pages.github.com/">GitHub Pages</a></p> + </footer> + </div> + + +</body> +</html> diff --git a/tutorials4.1.4.md b/tutorials4.1.4.md deleted file mode 100644 index 3b37b27d3b4..00000000000 --- a/tutorials4.1.4.md +++ /dev/null @@ -1,55 +0,0 @@ -# Tutorials for ESPResSo 4.1.4 - -All tutorials are available as Jupyter notebooks and can be found in `doc/tutorials/` in the -source code and [on GitHub](https://github.com/espressomd/espresso/tree/4.1.4/doc/tutorials). - -#### Introductory tutorials - -* **Simulate a simple Lennard-Jones liquid** - Modelling of a single-component and a two-component Lennard-Jones liquid. - [Guide](tutorials4.1.4/01-lennard_jones/01-lennard_jones.html) -* **Visualization** - Using the online visualizers of ESPResSo. - [Guide](tutorials4.1.4/08-visualization/08-visualization.html) - -#### Intermediate tutorials - -* **Charged systems** - Modelling of charged systems such as ionic crystals. - Guide - [Part 1](tutorials4.1.4/02-charged_system/02-charged_system-1.html) - [Part 2](tutorials4.1.4/02-charged_system/02-charged_system-2.html) -* **Ferrofluid** - Modelling of a monolayer ferrofluid system. - Guide - [Part 1](tutorials4.1.4/11-ferrofluid/11-ferrofluid_part1.html) | - [Part 2](tutorials4.1.4/11-ferrofluid/11-ferrofluid_part2.html) | - [Part 3](tutorials4.1.4/11-ferrofluid/11-ferrofluid_part3.html) -* **Lattice-Boltzmann** - Simulations including hydrodynamic interactions using the Lattice-Boltzmann method. - Guide - [Part 1](tutorials4.1.4/04-lattice_boltzmann/04-lattice_boltzmann_part1.html) | - [Part 2](tutorials4.1.4/04-lattice_boltzmann/04-lattice_boltzmann_part2.html) | - [Part 3](tutorials4.1.4/04-lattice_boltzmann/04-lattice_boltzmann_part3.html) | - [Part 4](tutorials4.1.4/04-lattice_boltzmann/04-lattice_boltzmann_part4.html) -* **Raspberry electrophoresis** - Extended objects in a Lattice-Boltzmann fluid, raspberry particles. - [Guide](tutorials4.1.4/05-raspberry_electrophoresis/05-raspberry_electrophoresis.html) - -#### Advanced tutorials - -* **Active matter** - Modelling of self-propelling particles. - [Guide](tutorials4.1.4/06-active_matter/06-active_matter.html) | - [Exercises](https://github.com/espressomd/espresso/tree/4.1.4/doc/tutorials/06-active_matter/EXERCISES) | - [Solutions](https://github.com/espressomd/espresso/tree/4.1.4/doc/tutorials/06-active_matter/SOLUTIONS) -* **Electrokinetics** - Modelling electrokinetics together with hydrodynamic interactions. - [Guide](tutorials4.1.4/07-electrokinetics/07-electrokinetics.html) -* **Constant pH method** - Modelling an acid dissociation curve using the constant pH method. - [Guide](tutorials4.1.4/12-constant_pH/12-constant_pH.html) -* **Reaction Ensemble method** - Modelling an acid dissociation curve using the reaction ensemble method. - [Guide](tutorials4.1.4/10-reaction_ensemble/10-reaction_ensemble.html) - diff --git a/tutorials4.2.0.html b/tutorials4.2.0.html new file mode 100644 index 00000000000..a4a53d6df9f --- /dev/null +++ b/tutorials4.2.0.html @@ -0,0 +1,141 @@ +<!DOCTYPE html> +<html xmlns="http://www.w3.org/1999/xhtml" lang="en_US" xml:lang="en_US"> +<head> + <meta http-equiv="content-type" content="text/html; charset=UTF-8"> + <meta charset="utf-8" /> + <meta http-equiv="X-UA-Compatible" content="IE=edge"> + <meta name="viewport" content="width=device-width,maximum-scale=2"> + <meta name="generator" content="pandoc" /> + <style type="text/css"> + </style> + <link rel="stylesheet" href="assets/css/style.css" /> + +<!-- Begin Jekyll SEO tag v2.7.1 --> +<title>ESPResSo documentation | ESPResSo</title> +<meta name="generator" content="Jekyll v3.9.0"> +<meta property="og:title" content="ESPResSo documentation | ESPResSo"> +<meta property="og:locale" content="en_US"> +<meta name="description" content="Extensible Simulation Package for +Research on Soft Matter Systems"> +<meta property="og:description" content="Extensible Simulation Package +for Research on Soft Matter Systems"> +<link rel="canonical" href="https://espressomd.github.io"> +<meta property="og:url" content="https://espressomd.github.io"> +<meta property="og:site_name" content="ESPResSo"> +<script type="application/ld+json"> +{"description":"Extensible Simulation Package for Research on Soft +Matter +Systems","url":"https://espressomd.github.io","@type":"WebSite","publisher":{"@type":"Organization","logo":{"@type":"ImageObject","url":"https://github.com/espressomd/espresso/blob/python/doc/logo/logo_500x500.png"}},"headline":"ESPResSo +documentation","name":"ESPResSo","@context":"https://schema.org"}</script> +<!-- End Jekyll SEO tag --> +</head> +<body> + + + <!-- HEADER --> + <div id="header_wrap" class="outer"> + <header class="inner"> + <a id="forkme_banner" href="https://github.com/espressomd/espresso">View on GitHub</a> + + <h1 id="project_title">ESPResSo</h1> + <h2 id="project_tagline">Extensible Simulation Package for Research on Soft Matter Systems</h2> + + <section id="downloads"> + <a class="tar_download_link" href="https://github.com/espressomd/espresso/releases/download/4.2.2/espresso-4.2.2.tar.gz">Download this project as a tar.gz file</a> + </section> + + </header> + </div> + + <!-- MAIN CONTENT --> + <div id="main_content_wrap" class="outer"> + <section id="main_content" class="inner"> + +<h1 id="tutorials">Tutorials</h1> +<p>All tutorials are available as Jupyter notebooks and can be found in +<code>doc/tutorials/</code> in the source code and <a +href="https://github.com/espressomd/espresso/tree/4.2.0/doc/tutorials">on +GitHub</a>.</p> +<h3 id="introductory-tutorials">Introductory tutorials</h3> +<ul> +<li><strong>Simulate a simple Lennard-Jones liquid</strong><br /> +Modelling of a single-component and a two-component Lennard-Jones +liquid.<br /> +<a href="tutorials4.2.0/lennard_jones/lennard_jones.html">Guide</a></li> +<li><strong>Error analysis</strong><br /> +Statistical analysis of simulation results<br /> +Guide <a +href="tutorials4.2.0/error_analysis/error_analysis_part1.html">Part +1</a> | <a +href="tutorials4.2.0/error_analysis/error_analysis_part2.html">Part +2</a></li> +<li><strong>Visualization</strong><br /> +Using the online visualizers of ESPResSo.<br /> +<a href="tutorials4.2.0/visualization/visualization.html">Guide</a></li> +</ul> +<h3 id="intermediate-tutorials">Intermediate tutorials</h3> +<ul> +<li><strong>Charged systems</strong><br /> +Modelling of ion condensation around a charged rod.<br /> +<a +href="tutorials4.2.0/charged_system/charged_system.html">Guide</a></li> +<li><strong>Langevin dynamics</strong><br /> +Modelling of Brownian motion and measurement of diffusion +coefficients.<br /> +<a +href="tutorials4.2.0/langevin_dynamics/langevin_dynamics.html">Guide</a></li> +<li><strong>Ferrofluid</strong><br /> +Modelling of a monolayer ferrofluid system.<br /> +Guide <a href="tutorials4.2.0/ferrofluid/ferrofluid_part1.html">Part +1</a> | +<a href="tutorials4.2.0/ferrofluid/ferrofluid_part2.html">Part +2</a> | +<a href="tutorials4.2.0/ferrofluid/ferrofluid_part3.html">Part +3</a></li> +<li><strong>Lattice-Boltzmann</strong><br /> +Simulations including hydrodynamic interactions using the +Lattice-Boltzmann method.<br /> +Guide <a +href="tutorials4.2.0/lattice_boltzmann/lattice_boltzmann_theory.html">Part +1</a> | <a +href="tutorials4.2.0/lattice_boltzmann/lattice_boltzmann_poiseuille_flow.html">Part +2</a></li> +<li><strong>Polymers</strong><br /> +Modelling polymers with hydrodynamic interactions.<br /> +<a href="tutorials4.2.0/polymers/polymers.html">Guide</a></li> +<li><strong>Raspberry electrophoresis</strong><br /> +Extended objects in a Lattice-Boltzmann fluid, raspberry +particles.<br /> +<a +href="tutorials4.2.0/raspberry_electrophoresis/raspberry_electrophoresis.html">Guide</a></li> +</ul> +<h3 id="advanced-tutorials">Advanced tutorials</h3> +<ul> +<li><strong>Active matter</strong><br /> +Modelling of self-propelling particles.<br /> +<a href="tutorials4.2.0/active_matter/active_matter.html">Guide</a></li> +<li><strong>Electrokinetics</strong><br /> +Modelling electrokinetics together with hydrodynamic interactions.<br /> +<a +href="tutorials4.2.0/electrokinetics/electrokinetics.html">Guide</a></li> +<li><strong>Constant pH method</strong><br /> +Modelling an acid dissociation curve using the constant pH method.<br /> +<a href="tutorials4.2.0/constant_pH/constant_pH.html">Guide</a></li> +</ul> + + </section> + </div> + + <!-- FOOTER --> + <div id="footer_wrap" class="outer"> + <footer class="inner"> + + <p class="copyright">ESPResSo maintained by <a href="https://github.com/espressomd">espressomd</a></p> + + <p>Published with <a href="https://pages.github.com/">GitHub Pages</a></p> + </footer> + </div> + + +</body> +</html> diff --git a/tutorials4.2.0.md b/tutorials4.2.0.md deleted file mode 100644 index 454baff3014..00000000000 --- a/tutorials4.2.0.md +++ /dev/null @@ -1,58 +0,0 @@ -# Tutorials - -All tutorials are available as Jupyter notebooks and can be found in `doc/tutorials/` in the -source code and [on GitHub](https://github.com/espressomd/espresso/tree/4.2.0/doc/tutorials). - - -### Introductory tutorials - -* **Simulate a simple Lennard-Jones liquid** - Modelling of a single-component and a two-component Lennard-Jones liquid. - [Guide](tutorials4.2.0/lennard_jones/lennard_jones.html) -* **Error analysis** - Statistical analysis of simulation results - Guide - [Part 1](tutorials4.2.0/error_analysis/error_analysis_part1.html) | - [Part 2](tutorials4.2.0/error_analysis/error_analysis_part2.html) -* **Visualization** - Using the online visualizers of ESPResSo. - [Guide](tutorials4.2.0/visualization/visualization.html) - -### Intermediate tutorials - -* **Charged systems** - Modelling of ion condensation around a charged rod. - [Guide](tutorials4.2.0/charged_system/charged_system.html) -* **Langevin dynamics** - Modelling of Brownian motion and measurement of diffusion coefficients. - [Guide](tutorials4.2.0/langevin_dynamics/langevin_dynamics.html) -* **Ferrofluid** - Modelling of a monolayer ferrofluid system. - Guide - [Part 1](tutorials4.2.0/ferrofluid/ferrofluid_part1.html) | - [Part 2](tutorials4.2.0/ferrofluid/ferrofluid_part2.html) | - [Part 3](tutorials4.2.0/ferrofluid/ferrofluid_part3.html) -* **Lattice-Boltzmann** - Simulations including hydrodynamic interactions using the Lattice-Boltzmann method. - Guide - [Part 1](tutorials4.2.0/lattice_boltzmann/lattice_boltzmann_theory.html) | - [Part 2](tutorials4.2.0/lattice_boltzmann/lattice_boltzmann_poiseuille_flow.html) -* **Polymers** - Modelling polymers with hydrodynamic interactions. - [Guide](tutorials4.2.0/polymers/polymers.html) -* **Raspberry electrophoresis** - Extended objects in a Lattice-Boltzmann fluid, raspberry particles. - [Guide](tutorials4.2.0/raspberry_electrophoresis/raspberry_electrophoresis.html) - -### Advanced tutorials - -* **Active matter** - Modelling of self-propelling particles. - [Guide](tutorials4.2.0/active_matter/active_matter.html) -* **Electrokinetics** - Modelling electrokinetics together with hydrodynamic interactions. - [Guide](tutorials4.2.0/electrokinetics/electrokinetics.html) -* **Constant pH method** - Modelling an acid dissociation curve using the constant pH method. - [Guide](tutorials4.2.0/constant_pH/constant_pH.html) - diff --git a/tutorials4.2.1.html b/tutorials4.2.1.html new file mode 100644 index 00000000000..07526c953a1 --- /dev/null +++ b/tutorials4.2.1.html @@ -0,0 +1,141 @@ +<!DOCTYPE html> +<html xmlns="http://www.w3.org/1999/xhtml" lang="en_US" xml:lang="en_US"> +<head> + <meta http-equiv="content-type" content="text/html; charset=UTF-8"> + <meta charset="utf-8" /> + <meta http-equiv="X-UA-Compatible" content="IE=edge"> + <meta name="viewport" content="width=device-width,maximum-scale=2"> + <meta name="generator" content="pandoc" /> + <style type="text/css"> + </style> + <link rel="stylesheet" href="assets/css/style.css" /> + +<!-- Begin Jekyll SEO tag v2.7.1 --> +<title>ESPResSo documentation | ESPResSo</title> +<meta name="generator" content="Jekyll v3.9.0"> +<meta property="og:title" content="ESPResSo documentation | ESPResSo"> +<meta property="og:locale" content="en_US"> +<meta name="description" content="Extensible Simulation Package for +Research on Soft Matter Systems"> +<meta property="og:description" content="Extensible Simulation Package +for Research on Soft Matter Systems"> +<link rel="canonical" href="https://espressomd.github.io"> +<meta property="og:url" content="https://espressomd.github.io"> +<meta property="og:site_name" content="ESPResSo"> +<script type="application/ld+json"> +{"description":"Extensible Simulation Package for Research on Soft +Matter +Systems","url":"https://espressomd.github.io","@type":"WebSite","publisher":{"@type":"Organization","logo":{"@type":"ImageObject","url":"https://github.com/espressomd/espresso/blob/python/doc/logo/logo_500x500.png"}},"headline":"ESPResSo +documentation","name":"ESPResSo","@context":"https://schema.org"}</script> +<!-- End Jekyll SEO tag --> +</head> +<body> + + + <!-- HEADER --> + <div id="header_wrap" class="outer"> + <header class="inner"> + <a id="forkme_banner" href="https://github.com/espressomd/espresso">View on GitHub</a> + + <h1 id="project_title">ESPResSo</h1> + <h2 id="project_tagline">Extensible Simulation Package for Research on Soft Matter Systems</h2> + + <section id="downloads"> + <a class="tar_download_link" href="https://github.com/espressomd/espresso/releases/download/4.2.2/espresso-4.2.2.tar.gz">Download this project as a tar.gz file</a> + </section> + + </header> + </div> + + <!-- MAIN CONTENT --> + <div id="main_content_wrap" class="outer"> + <section id="main_content" class="inner"> + +<h1 id="tutorials">Tutorials</h1> +<p>All tutorials are available as Jupyter notebooks and can be found in +<code>doc/tutorials/</code> in the source code and <a +href="https://github.com/espressomd/espresso/tree/4.2.1/doc/tutorials">on +GitHub</a>.</p> +<h3 id="introductory-tutorials">Introductory tutorials</h3> +<ul> +<li><strong>Simulate a simple Lennard-Jones liquid</strong><br /> +Modelling of a single-component and a two-component Lennard-Jones +liquid.<br /> +<a href="tutorials4.2.1/lennard_jones/lennard_jones.html">Guide</a></li> +<li><strong>Error analysis</strong><br /> +Statistical analysis of simulation results<br /> +Guide <a +href="tutorials4.2.1/error_analysis/error_analysis_part1.html">Part +1</a> | <a +href="tutorials4.2.1/error_analysis/error_analysis_part2.html">Part +2</a></li> +<li><strong>Visualization</strong><br /> +Using the online visualizers of ESPResSo.<br /> +<a href="tutorials4.2.1/visualization/visualization.html">Guide</a></li> +</ul> +<h3 id="intermediate-tutorials">Intermediate tutorials</h3> +<ul> +<li><strong>Charged systems</strong><br /> +Modelling of ion condensation around a charged rod.<br /> +<a +href="tutorials4.2.1/charged_system/charged_system.html">Guide</a></li> +<li><strong>Langevin dynamics</strong><br /> +Modelling of Brownian motion and measurement of diffusion +coefficients.<br /> +<a +href="tutorials4.2.1/langevin_dynamics/langevin_dynamics.html">Guide</a></li> +<li><strong>Ferrofluid</strong><br /> +Modelling of a monolayer ferrofluid system.<br /> +Guide <a href="tutorials4.2.1/ferrofluid/ferrofluid_part1.html">Part +1</a> | +<a href="tutorials4.2.1/ferrofluid/ferrofluid_part2.html">Part +2</a> | +<a href="tutorials4.2.1/ferrofluid/ferrofluid_part3.html">Part +3</a></li> +<li><strong>Lattice-Boltzmann</strong><br /> +Simulations including hydrodynamic interactions using the +Lattice-Boltzmann method.<br /> +Guide <a +href="tutorials4.2.1/lattice_boltzmann/lattice_boltzmann_theory.html">Part +1</a> | <a +href="tutorials4.2.1/lattice_boltzmann/lattice_boltzmann_poiseuille_flow.html">Part +2</a></li> +<li><strong>Polymers</strong><br /> +Modelling polymers with hydrodynamic interactions.<br /> +<a href="tutorials4.2.1/polymers/polymers.html">Guide</a></li> +<li><strong>Raspberry electrophoresis</strong><br /> +Extended objects in a Lattice-Boltzmann fluid, raspberry +particles.<br /> +<a +href="tutorials4.2.1/raspberry_electrophoresis/raspberry_electrophoresis.html">Guide</a></li> +</ul> +<h3 id="advanced-tutorials">Advanced tutorials</h3> +<ul> +<li><strong>Active matter</strong><br /> +Modelling of self-propelling particles.<br /> +<a href="tutorials4.2.1/active_matter/active_matter.html">Guide</a></li> +<li><strong>Electrokinetics</strong><br /> +Modelling electrokinetics together with hydrodynamic interactions.<br /> +<a +href="tutorials4.2.1/electrokinetics/electrokinetics.html">Guide</a></li> +<li><strong>Constant pH method</strong><br /> +Modelling an acid dissociation curve using the constant pH method.<br /> +<a href="tutorials4.2.1/constant_pH/constant_pH.html">Guide</a></li> +</ul> + + </section> + </div> + + <!-- FOOTER --> + <div id="footer_wrap" class="outer"> + <footer class="inner"> + + <p class="copyright">ESPResSo maintained by <a href="https://github.com/espressomd">espressomd</a></p> + + <p>Published with <a href="https://pages.github.com/">GitHub Pages</a></p> + </footer> + </div> + + +</body> +</html> diff --git a/tutorials4.2.1.md b/tutorials4.2.1.md deleted file mode 100644 index d7a704cb181..00000000000 --- a/tutorials4.2.1.md +++ /dev/null @@ -1,57 +0,0 @@ -# Tutorials - -All tutorials are available as Jupyter notebooks and can be found in `doc/tutorials/` in the -source code and [on GitHub](https://github.com/espressomd/espresso/tree/4.2.1/doc/tutorials). - - -### Introductory tutorials - -* **Simulate a simple Lennard-Jones liquid** - Modelling of a single-component and a two-component Lennard-Jones liquid. - [Guide](tutorials4.2.1/lennard_jones/lennard_jones.html) -* **Error analysis** - Statistical analysis of simulation results - Guide - [Part 1](tutorials4.2.1/error_analysis/error_analysis_part1.html) | - [Part 2](tutorials4.2.1/error_analysis/error_analysis_part2.html) -* **Visualization** - Using the online visualizers of ESPResSo. - [Guide](tutorials4.2.1/visualization/visualization.html) - -### Intermediate tutorials - -* **Charged systems** - Modelling of ion condensation around a charged rod. - [Guide](tutorials4.2.1/charged_system/charged_system.html) -* **Langevin dynamics** - Modelling of Brownian motion and measurement of diffusion coefficients. - [Guide](tutorials4.2.1/langevin_dynamics/langevin_dynamics.html) -* **Ferrofluid** - Modelling of a monolayer ferrofluid system. - Guide - [Part 1](tutorials4.2.1/ferrofluid/ferrofluid_part1.html) | - [Part 2](tutorials4.2.1/ferrofluid/ferrofluid_part2.html) | - [Part 3](tutorials4.2.1/ferrofluid/ferrofluid_part3.html) -* **Lattice-Boltzmann** - Simulations including hydrodynamic interactions using the Lattice-Boltzmann method. - Guide - [Part 1](tutorials4.2.1/lattice_boltzmann/lattice_boltzmann_theory.html) | - [Part 2](tutorials4.2.1/lattice_boltzmann/lattice_boltzmann_poiseuille_flow.html) -* **Polymers** - Modelling polymers with hydrodynamic interactions. - [Guide](tutorials4.2.1/polymers/polymers.html) -* **Raspberry electrophoresis** - Extended objects in a Lattice-Boltzmann fluid, raspberry particles. - [Guide](tutorials4.2.1/raspberry_electrophoresis/raspberry_electrophoresis.html) - -### Advanced tutorials - -* **Active matter** - Modelling of self-propelling particles. - [Guide](tutorials4.2.1/active_matter/active_matter.html) -* **Electrokinetics** - Modelling electrokinetics together with hydrodynamic interactions. - [Guide](tutorials4.2.1/electrokinetics/electrokinetics.html) -* **Constant pH method** - Modelling an acid dissociation curve using the constant pH method. - [Guide](tutorials4.2.1/constant_pH/constant_pH.html) diff --git a/tutorials4.2.2.html b/tutorials4.2.2.html new file mode 100644 index 00000000000..76237655ca2 --- /dev/null +++ b/tutorials4.2.2.html @@ -0,0 +1,141 @@ +<!DOCTYPE html> +<html xmlns="http://www.w3.org/1999/xhtml" lang="en_US" xml:lang="en_US"> +<head> + <meta http-equiv="content-type" content="text/html; charset=UTF-8"> + <meta charset="utf-8" /> + <meta http-equiv="X-UA-Compatible" content="IE=edge"> + <meta name="viewport" content="width=device-width,maximum-scale=2"> + <meta name="generator" content="pandoc" /> + <style type="text/css"> + </style> + <link rel="stylesheet" href="assets/css/style.css" /> + +<!-- Begin Jekyll SEO tag v2.7.1 --> +<title>ESPResSo documentation | ESPResSo</title> +<meta name="generator" content="Jekyll v3.9.0"> +<meta property="og:title" content="ESPResSo documentation | ESPResSo"> +<meta property="og:locale" content="en_US"> +<meta name="description" content="Extensible Simulation Package for +Research on Soft Matter Systems"> +<meta property="og:description" content="Extensible Simulation Package +for Research on Soft Matter Systems"> +<link rel="canonical" href="https://espressomd.github.io"> +<meta property="og:url" content="https://espressomd.github.io"> +<meta property="og:site_name" content="ESPResSo"> +<script type="application/ld+json"> +{"description":"Extensible Simulation Package for Research on Soft +Matter +Systems","url":"https://espressomd.github.io","@type":"WebSite","publisher":{"@type":"Organization","logo":{"@type":"ImageObject","url":"https://github.com/espressomd/espresso/blob/python/doc/logo/logo_500x500.png"}},"headline":"ESPResSo +documentation","name":"ESPResSo","@context":"https://schema.org"}</script> +<!-- End Jekyll SEO tag --> +</head> +<body> + + + <!-- HEADER --> + <div id="header_wrap" class="outer"> + <header class="inner"> + <a id="forkme_banner" href="https://github.com/espressomd/espresso">View on GitHub</a> + + <h1 id="project_title">ESPResSo</h1> + <h2 id="project_tagline">Extensible Simulation Package for Research on Soft Matter Systems</h2> + + <section id="downloads"> + <a class="tar_download_link" href="https://github.com/espressomd/espresso/releases/download/4.2.2/espresso-4.2.2.tar.gz">Download this project as a tar.gz file</a> + </section> + + </header> + </div> + + <!-- MAIN CONTENT --> + <div id="main_content_wrap" class="outer"> + <section id="main_content" class="inner"> + +<h1 id="tutorials">Tutorials</h1> +<p>All tutorials are available as Jupyter notebooks and can be found in +<code>doc/tutorials/</code> in the source code and <a +href="https://github.com/espressomd/espresso/tree/python/doc/tutorials">on +GitHub</a>.</p> +<h3 id="introductory-tutorials">Introductory tutorials</h3> +<ul> +<li><strong>Simulate a simple Lennard-Jones liquid</strong><br /> +Modelling of a single-component and a two-component Lennard-Jones +liquid.<br /> +<a href="tutorials4.2.2/lennard_jones/lennard_jones.html">Guide</a></li> +<li><strong>Error analysis</strong><br /> +Statistical analysis of simulation results<br /> +Guide <a +href="tutorials4.2.2/error_analysis/error_analysis_part1.html">Part +1</a> | <a +href="tutorials4.2.2/error_analysis/error_analysis_part2.html">Part +2</a></li> +<li><strong>Visualization</strong><br /> +Using the online visualizers of ESPResSo.<br /> +<a href="tutorials4.2.2/visualization/visualization.html">Guide</a></li> +</ul> +<h3 id="intermediate-tutorials">Intermediate tutorials</h3> +<ul> +<li><strong>Charged systems</strong><br /> +Modelling of ion condensation around a charged rod.<br /> +<a +href="tutorials4.2.2/charged_system/charged_system.html">Guide</a></li> +<li><strong>Langevin dynamics</strong><br /> +Modelling of Brownian motion and measurement of diffusion +coefficients.<br /> +<a +href="tutorials4.2.2/langevin_dynamics/langevin_dynamics.html">Guide</a></li> +<li><strong>Ferrofluid</strong><br /> +Modelling of a monolayer ferrofluid system.<br /> +Guide <a href="tutorials4.2.2/ferrofluid/ferrofluid_part1.html">Part +1</a> | +<a href="tutorials4.2.2/ferrofluid/ferrofluid_part2.html">Part +2</a> | +<a href="tutorials4.2.2/ferrofluid/ferrofluid_part3.html">Part +3</a></li> +<li><strong>Lattice-Boltzmann</strong><br /> +Simulations including hydrodynamic interactions using the +Lattice-Boltzmann method.<br /> +Guide <a +href="tutorials4.2.2/lattice_boltzmann/lattice_boltzmann_theory.html">Part +1</a> | <a +href="tutorials4.2.2/lattice_boltzmann/lattice_boltzmann_poiseuille_flow.html">Part +2</a></li> +<li><strong>Polymers</strong><br /> +Modelling polymers with hydrodynamic interactions.<br /> +<a href="tutorials4.2.2/polymers/polymers.html">Guide</a></li> +<li><strong>Raspberry electrophoresis</strong><br /> +Extended objects in a Lattice-Boltzmann fluid, raspberry +particles.<br /> +<a +href="tutorials4.2.2/raspberry_electrophoresis/raspberry_electrophoresis.html">Guide</a></li> +</ul> +<h3 id="advanced-tutorials">Advanced tutorials</h3> +<ul> +<li><strong>Active matter</strong><br /> +Modelling of self-propelling particles.<br /> +<a href="tutorials4.2.2/active_matter/active_matter.html">Guide</a></li> +<li><strong>Electrokinetics</strong><br /> +Modelling electrokinetics together with hydrodynamic interactions.<br /> +<a +href="tutorials4.2.2/electrokinetics/electrokinetics.html">Guide</a></li> +<li><strong>Constant pH method</strong><br /> +Modelling an acid dissociation curve using the constant pH method.<br /> +<a href="tutorials4.2.2/constant_pH/constant_pH.html">Guide</a></li> +</ul> + + </section> + </div> + + <!-- FOOTER --> + <div id="footer_wrap" class="outer"> + <footer class="inner"> + + <p class="copyright">ESPResSo maintained by <a href="https://github.com/espressomd">espressomd</a></p> + + <p>Published with <a href="https://pages.github.com/">GitHub Pages</a></p> + </footer> + </div> + + +</body> +</html> diff --git a/tutorials4.2.2.md b/tutorials4.2.2.md deleted file mode 100644 index 7d6fa2bfcd1..00000000000 --- a/tutorials4.2.2.md +++ /dev/null @@ -1,58 +0,0 @@ -# Tutorials - -All tutorials are available as Jupyter notebooks and can be found in `doc/tutorials/` in the -source code and [on GitHub](https://github.com/espressomd/espresso/tree/python/doc/tutorials). - - -### Introductory tutorials - -* **Simulate a simple Lennard-Jones liquid** - Modelling of a single-component and a two-component Lennard-Jones liquid. - [Guide](tutorials4.2.2/lennard_jones/lennard_jones.html) -* **Error analysis** - Statistical analysis of simulation results - Guide - [Part 1](tutorials4.2.2/error_analysis/error_analysis_part1.html) | - [Part 2](tutorials4.2.2/error_analysis/error_analysis_part2.html) -* **Visualization** - Using the online visualizers of ESPResSo. - [Guide](tutorials4.2.2/visualization/visualization.html) - -### Intermediate tutorials - -* **Charged systems** - Modelling of ion condensation around a charged rod. - [Guide](tutorials4.2.2/charged_system/charged_system.html) -* **Langevin dynamics** - Modelling of Brownian motion and measurement of diffusion coefficients. - [Guide](tutorials4.2.2/langevin_dynamics/langevin_dynamics.html) -* **Ferrofluid** - Modelling of a monolayer ferrofluid system. - Guide - [Part 1](tutorials4.2.2/ferrofluid/ferrofluid_part1.html) | - [Part 2](tutorials4.2.2/ferrofluid/ferrofluid_part2.html) | - [Part 3](tutorials4.2.2/ferrofluid/ferrofluid_part3.html) -* **Lattice-Boltzmann** - Simulations including hydrodynamic interactions using the Lattice-Boltzmann method. - Guide - [Part 1](tutorials4.2.2/lattice_boltzmann/lattice_boltzmann_theory.html) | - [Part 2](tutorials4.2.2/lattice_boltzmann/lattice_boltzmann_poiseuille_flow.html) -* **Polymers** - Modelling polymers with hydrodynamic interactions. - [Guide](tutorials4.2.2/polymers/polymers.html) -* **Raspberry electrophoresis** - Extended objects in a Lattice-Boltzmann fluid, raspberry particles. - [Guide](tutorials4.2.2/raspberry_electrophoresis/raspberry_electrophoresis.html) - -### Advanced tutorials - -* **Active matter** - Modelling of self-propelling particles. - [Guide](tutorials4.2.2/active_matter/active_matter.html) -* **Electrokinetics** - Modelling electrokinetics together with hydrodynamic interactions. - [Guide](tutorials4.2.2/electrokinetics/electrokinetics.html) -* **Constant pH method** - Modelling an acid dissociation curve using the constant pH method. - [Guide](tutorials4.2.2/constant_pH/constant_pH.html) - diff --git a/tutorials_header.md b/tutorials_header.md deleted file mode 100644 index 0ff547becb4..00000000000 --- a/tutorials_header.md +++ /dev/null @@ -1,4 +0,0 @@ -# Tutorials - -All tutorials are available as Jupyter notebooks and can be found in `doc/tutorials/` in the -source code and [on GitHub](https://github.com/espressomd/espresso/tree/python/doc/tutorials). diff --git a/videos.html b/videos.html new file mode 100644 index 00000000000..1c83f6a4c67 --- /dev/null +++ b/videos.html @@ -0,0 +1,97 @@ +<!DOCTYPE html> +<html xmlns="http://www.w3.org/1999/xhtml" lang="en_US" xml:lang="en_US"> +<head> + <meta http-equiv="content-type" content="text/html; charset=UTF-8"> + <meta charset="utf-8" /> + <meta http-equiv="X-UA-Compatible" content="IE=edge"> + <meta name="viewport" content="width=device-width,maximum-scale=2"> + <meta name="generator" content="pandoc" /> + <style type="text/css"> + </style> + <link rel="stylesheet" href="assets/css/style.css" /> + +<!-- Begin Jekyll SEO tag v2.7.1 --> +<title>ESPResSo documentation | ESPResSo</title> +<meta name="generator" content="Jekyll v3.9.0"> +<meta property="og:title" content="ESPResSo documentation | ESPResSo"> +<meta property="og:locale" content="en_US"> +<meta name="description" content="Extensible Simulation Package for +Research on Soft Matter Systems"> +<meta property="og:description" content="Extensible Simulation Package +for Research on Soft Matter Systems"> +<link rel="canonical" href="https://espressomd.github.io"> +<meta property="og:url" content="https://espressomd.github.io"> +<meta property="og:site_name" content="ESPResSo"> +<script type="application/ld+json"> +{"description":"Extensible Simulation Package for Research on Soft +Matter +Systems","url":"https://espressomd.github.io","@type":"WebSite","publisher":{"@type":"Organization","logo":{"@type":"ImageObject","url":"https://github.com/espressomd/espresso/blob/python/doc/logo/logo_500x500.png"}},"headline":"ESPResSo +documentation","name":"ESPResSo","@context":"https://schema.org"}</script> +<!-- End Jekyll SEO tag --> +</head> +<body> + + + <!-- HEADER --> + <div id="header_wrap" class="outer"> + <header class="inner"> + <a id="forkme_banner" href="https://github.com/espressomd/espresso">View on GitHub</a> + + <h1 id="project_title">ESPResSo</h1> + <h2 id="project_tagline">Extensible Simulation Package for Research on Soft Matter Systems</h2> + + <section id="downloads"> + <a class="tar_download_link" href="https://github.com/espressomd/espresso/releases/download/4.2.2/espresso-4.2.2.tar.gz">Download this project as a tar.gz file</a> + </section> + + </header> + </div> + + <!-- MAIN CONTENT --> + <div id="main_content_wrap" class="outer"> + <section id="main_content" class="inner"> + +<h1 id="online-videos">Online videos</h1> +<p>Video lectures about <strong>ESPResSo</strong> are available on +YouTube. Follow <a +href="https://www.youtube.com/channel/UC6yzqhq2KrT-aDhPjcL-VNw/">ESPResSo +Simulation Package</a> channel to get the latest updates!</p> +<ul> +<li><a href="https://www.youtube.com/watch?v=aP4jvpD-D1w">Introduction +to ESPResSo</a></li> +<li><a href="https://www.youtube.com/watch?v=dlvF1Zk3AAs">How to run +ESPResSo inside Visual Studio Code</a></li> +<li><a href="https://www.youtube.com/watch?v=I-HCxj9dUIU">Error +Estimation in Time-Correlated Data</a></li> +<li><a href="https://www.youtube.com/watch?v=YPryFf7MQTg">Electrostatic +Algorithms</a></li> +<li><a href="https://www.youtube.com/watch?v=wrnDg-3j2ik">Introduction +to Charged Soft Matter</a></li> +<li><a href="https://www.youtube.com/watch?v=64rNmTpoS1c">Managing +Simulation Data</a></li> +<li><a href="https://www.youtube.com/watch?v=wbL3EdVCbkI">Introduction +to Ferrofluids</a></li> +<li><a href="https://www.youtube.com/watch?v=vSF5-eciwms">Molecular +Modelling of Polymers</a></li> +<li><a href="https://www.youtube.com/watch?v=MUG-PSaMFVM">Simulating +Chemical Reactions in ESPResSo</a></li> +<li><a href="https://www.youtube.com/watch?v=jfk4feD7rFQ">Introduction +to Lattice Boltzmann Method</a></li> +</ul> + + </section> + </div> + + <!-- FOOTER --> + <div id="footer_wrap" class="outer"> + <footer class="inner"> + + <p class="copyright">ESPResSo maintained by <a href="https://github.com/espressomd">espressomd</a></p> + + <p>Published with <a href="https://pages.github.com/">GitHub Pages</a></p> + </footer> + </div> + + +</body> +</html> diff --git a/videos.py b/videos.py deleted file mode 100644 index b138d6e75c8..00000000000 --- a/videos.py +++ /dev/null @@ -1,37 +0,0 @@ -# -# Copyright (C) 2021 The ESPResSo project -# -# This file is part of ESPResSo. -# -# ESPResSo is free software: you can redistribute it and/or modify -# it under the terms of the GNU General Public License as published by -# the Free Software Foundation, either version 3 of the License, or -# (at your option) any later version. -# -# ESPResSo is distributed in the hope that it will be useful, -# but WITHOUT ANY WARRANTY; without even the implied warranty of -# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the -# GNU General Public License for more details. -# -# You should have received a copy of the GNU General Public License -# along with this program. If not, see <http://www.gnu.org/licenses/>. -# -""" -This script generates the landing page for video lectures. -""" - -marker_begin = '[comment]: # (Begin of videos landing page)' -marker_end = '[comment]: # (End of videos landing page)' - -with open('build/doc/tutorials/Readme.md') as f: - content = f.read() - -assert marker_begin in content, f'Readme.md is missing "{marker_begin}"' -assert marker_end in content, f'Readme.md is missing "{marker_end}"' -video_descriptions = content.split(marker_begin)[1].split(marker_end)[0] - -with open('videos_header.md', 'r') as f: - video_header = f.read() - -with open('videos.md', 'w') as f: - f.write(video_header + video_descriptions) diff --git a/videos_header.md b/videos_header.md deleted file mode 100644 index 8cf07502e31..00000000000 --- a/videos_header.md +++ /dev/null @@ -1,5 +0,0 @@ -# Online videos - -Video lectures about **ESPResSo** are available on YouTube. -Follow [ESPResSo Simulation Package](https://www.youtube.com/channel/UC6yzqhq2KrT-aDhPjcL-VNw/) -channel to get the latest updates!