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m-julian committed Nov 8, 2024
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14 changes: 13 additions & 1 deletion _bibliography/papers.bib
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@string{aps = {American Physical Society,}}
@article{ichor_library,
title={Ichor: A Python library for computational chemistry data management and machine learning force field development},
title={ichor: A Python library for computational chemistry data management and machine learning force field development},
author={Manchev, Yulian T and Burn, Matthew J and Popelier, Paul LA},
journal={Journal of Computational Chemistry},
year={2024},
Expand All @@ -23,3 +23,15 @@ @article{manchev2024fflux
publisher={Wiley Online Library},
selected={true}
}

@article{manchev2024modeling,
title={Modeling Many-Body Interactions in Water with Gaussian Process Regression},
author={Manchev, Yulian T and Popelier, Paul LA},
journal={The Journal of Physical Chemistry A},
volume={128},
number={42},
pages={9345--9351},
year={2024},
publisher={ACS Publications}
}

5 changes: 3 additions & 2 deletions _config.yml
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Expand Up @@ -111,8 +111,9 @@ x_username: # your X handle
youtube_id: # your youtube channel id (youtube.com/@<youtube_id>)
zotero_username: # your zotero username

contact_note: >
You can even add a little note about which of these is the best way to reach you.

# contact_note: >
# You can even add a little note about which of these is the best way to reach you.

# -----------------------------------------------------------------------------
# Analytics and search engine verification
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1 change: 1 addition & 0 deletions _data/repositories.yml
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Expand Up @@ -5,3 +5,4 @@ repo_description_lines_max: 2

github_repos:
- popelier-group/ichor
- m-julian/ALFVisualizer
5 changes: 3 additions & 2 deletions _posts/general/2024-10-06-publishing_notebooks.md
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Expand Up @@ -3,6 +3,7 @@ layout: post
title: How to publish a jupyter notebook on Github pages with Jekyll
date: 2024-10-06 00:07:04
description: Contains instructions and information for setting up jupyter notebook support on Github pages websites with Jekyll.
tags: code
---

# Adding Jupyter Notebook Support to GitHub Pages
Expand All @@ -18,9 +19,9 @@ Install this gem, and then you will be able to add jupyter notebooks to your Git
Linking is done by:

```text
{percentage jupyter_notebook "path_to_notebook.ipynb" percentage}
{percent jupyter_notebook "path_to_notebook.ipynb" percent}
```
where `percentage` above needs to be replaced by `%`, so that it is proper liquid code. This will insert the Jupyter notebook into the new post.
where `percent` above needs to be replaced by `%`, so that it is proper liquid code. This will insert the Jupyter notebook into the new post.

# Support for Latex Equations Numbering in Jupyter Notebook

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