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Summer school wrap-up (#4810)
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Description of changes:
- remove summer school banner
- make the ELC tutorial appear on GitHub Pages
- document effect of lattice offset on shape-based constraints used to create boundaries (follow-up to #4804)
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kodiakhq[bot] authored Oct 17, 2023
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6 changes: 0 additions & 6 deletions Readme.md
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@@ -1,9 +1,3 @@
# Invitation to the ESPResSo Summer School 2023

[![CECAM Flagship School registration link](https://img.shields.io/badge/CECAM%20Flagship%20School-Register%20Now-blue?style=for-the-badge)](https://www.cecam.org/workshop-details/1229)

The summer school "Simulating energy materials with ESPResSo and waLBerla" will take place on October 9-13, 2023, in Stuttgart. Registration is now open on [CECAM](https://www.cecam.org/workshop-details/1229).

# ESPResSo

[![GitLab CI](https://gitlab.icp.uni-stuttgart.de/espressomd/espresso/badges/python/pipeline.svg)](https://gitlab.icp.uni-stuttgart.de/espressomd/espresso/-/commits/python)
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21 changes: 7 additions & 14 deletions doc/bibliography.bib
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Expand Up @@ -673,21 +673,14 @@ @Article{kolb99a
doi = {10.1063/1.479208},
}

@PhdThesis{kruger11a,
author = {Kr\"{u}ger, Timm},
title = {Computer simulation study of collective phenomena in dense suspensions of red blood cells under shear},
school = {Universit\"{a}t Bochum},
year = {2011}
}

@Book{kruger12a,
author={Kr\"{u}ger, Timm},
title={Computer simulation study of collective phenomena in dense suspensions of red blood cells under shear},
year={2012},
publisher={Vieweg+Teubner Verlag},
address={Wiesbaden},
isbn={978-3-8348-2376-2},
doi={10.1007/978-3-8348-2376-2},
author = {Kr{\"u}ger, Timm},
title = {Computer Simulation Study of Collective Phenomena in Dense Suspensions of Red Blood Cells under Shear},
year = {2012},
publisher = {Vieweg+Teubner Verlag},
isbn = {978-3-8348-2376-2},
doi = {10.1007/978-3-8348-2376-2},
address = {Wiesbaden},
}

@Book{kruger17a,
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4 changes: 2 additions & 2 deletions doc/sphinx/advanced_methods.rst
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Expand Up @@ -272,7 +272,7 @@ Please contact the Biofluid Simulation and Modeling Group at the
University of Bayreuth if you plan to use this feature.

With the Immersed Boundary Method (IBM), soft particles are considered as an infinitely
thin shell filled with liquid (see e.g. :cite:`peskin02a,crowl10a,kruger11a`). When the
thin shell filled with liquid (see e.g. :cite:`peskin02a,crowl10a,kruger12a`). When the
shell is deformed by an external flow, it responds with elastic restoring
forces which are transmitted into the fluid. In the present case, the
inner and outer liquid are of the same type and are simulated using
Expand All @@ -281,7 +281,7 @@ lattice-Boltzmann.
Numerically, the shell is discretized by a set of marker points
connected by triangles. The marker points are advected with *exactly*
the local fluid velocity, i.e., they do not possess a mass nor a
friction coefficient (this is different from the Object-in-Fluid method
friction coefficient (this is different from the :ref:`Object-in-Fluid` method
below). We implement these marker points as virtual tracer
particles which are not integrated using the usual velocity-Verlet
scheme, but instead are propagated using a simple Euler algorithm with
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7 changes: 7 additions & 0 deletions doc/sphinx/lb.rst
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Expand Up @@ -473,6 +473,13 @@ This allows the user to quickly set up a system with boundary conditions
that simultaneously act on the fluid and particles. For a complete
description of all available shapes, refer to :mod:`espressomd.shapes`.

When using shapes, keep in mind the lattice origin is offset by half a grid
size from the box origin. For illustration purposes, assuming ``agrid=1``,
setting a wall constraint with ``dist=1`` and a normal vector pointing along
the x-axis will set all LB nodes in the left side of the box as boundary
nodes with thickness 1. The same outcome is obtained with ``dist=1.49``,
but with ``dist=1.51`` the thickness will be 2.

.. _Prototyping new LB methods:

Prototyping new LB methods
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4 changes: 4 additions & 0 deletions doc/tutorials/Readme.md
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Expand Up @@ -59,6 +59,10 @@ physical systems.
* **Electrokinetics**
Modelling electrokinetics together with hydrodynamic interactions.
[Guide](electrokinetics/electrokinetics.ipynb)
* **Electrodes**
Modelling electrodes and measuring differential capacitance with the ELC method.
[Part 1](electrodes/electrodes_part1.ipynb) |
Part 2 (work in progress)
* **Constant pH method**
Modelling an acid dissociation curve using the constant pH method.
[Guide](constant_pH/constant_pH.ipynb)
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4 changes: 2 additions & 2 deletions doc/tutorials/electrodes/CMakeLists.txt
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Expand Up @@ -22,5 +22,5 @@ configure_tutorial_target(TARGET tutorial_electrodes DEPENDS

nb_export(TARGET tutorial_electrodes SUFFIX "1" FILE "electrodes_part1.ipynb"
HTML_RUN)
nb_export(TARGET tutorial_electrodes SUFFIX "2" FILE "electrodes_part2.ipynb"
HTML_RUN)
# TODO: fix time step issues (#4798) before adding HTML_RUN back
nb_export(TARGET tutorial_electrodes SUFFIX "2" FILE "electrodes_part2.ipynb")
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Expand Up @@ -79,9 +79,9 @@
"espressomd.assert_features([\"LENNARD_JONES\", \"WALBERLA\"])\n",
"\n",
"# imports for data handling, plotting, and progress bar\n",
"import tqdm\n",
"import numpy as np\n",
"import matplotlib.pyplot as plt\n",
"import tqdm"
"import matplotlib.pyplot as plt"
]
},
{
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