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Merged
mphoward merged 8 commits into from
Nov 19, 2025
Merged

Add tutorial for initializing an ethanol-water. #97

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b52c1b0
Add tutorial for initializing an ethanol-water mixture to docs.
clpetix Nov 10, 2025
6738414
Add jupyter notebook to create ethanol-water mixture
mayukh33 Nov 10, 2025
ffa9b09
Fix pre-commit and documentation errors
mayukh33 Nov 10, 2025
f7d386d
Fix formatting of input file references in ethanol-water mixture tuto…
mayukh33 Nov 10, 2025
e3d1b0d
Merge branch 'main' into joss-review-mhlbapat-ethanol-water
clpetix Nov 11, 2025
5c50350
Update tutorial to use molecule JSON.
clpetix Nov 16, 2025
c16620a
Read PACKMOL data in one file access.
clpetix Nov 18, 2025
4773099
Fix typo in hydrogen type.
clpetix Nov 18, 2025
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7 changes: 7 additions & 0 deletions doc/source/tutorials.rst
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Expand Up @@ -6,6 +6,7 @@ Tutorials

./tutorials/dimer_lattice_tutorial
./tutorials/analysis_tutorial/analysis_tutorial
./tutorials/ethanol-water-tutorial/ethanol_water_mixture

.. grid:: 2

Expand All @@ -22,3 +23,9 @@ Tutorials

Read and analyze a LAMMPS dump file to study the Lennard-Jones fluid
using the freud Python package.

.. grid-item-card:: Initializing an Ethanol-Water Mixture
:link: ./tutorials/ethanol-water-tutorial/ethanol_water_mixture
:link-type: doc

Use Snapshot to create a LAMMPS data file for an ethanol-water mixture.
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