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gmatteo committed Jul 23, 2024
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4 changes: 2 additions & 2 deletions .github/workflows/tests.yml
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Expand Up @@ -16,7 +16,7 @@ on:

jobs:
# This job tests that the CC works
test-cc-and-jb-build:
test-and-jb-build:
# prevent this action from running on forks
#if: github.repository == 'abinit/abipy'
defaults:
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- name: Upload the book's HTML as an artifact
uses: actions/upload-pages-artifact@v2
with:
path: "abipy_book/abipy_book/_build/html"
path: abipy_book/abipy_book/_build/html

# Deploy the book's HTML to GitHub Pages
#- name: Deploy to GitHub Pages
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2 changes: 1 addition & 1 deletion abipy_book/_config.yml
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Expand Up @@ -101,7 +101,7 @@ sphinx:
- "https://docs.scipy.org/doc/scipy/reference/"
- null
pandas:
- "http://pandas-docs.github.io/pandas-docs-travis/"
- "https://pandas.pydata.org/pandas-docs/stable/"
- null
matplotlib:
- "https://matplotlib.org/"
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6 changes: 3 additions & 3 deletions abipy_book/elastic/lesson_elastic.md
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Expand Up @@ -252,8 +252,8 @@ The tensors are available as attributes of the `edata` object:
edata.elastic_relaxed
```

These are pymatgen [tensors](https://github.com/materialsproject/pymatgen/blob/master/pymatgen/analysis/elasticity/tensors.py),
more specifically [ElasticTensor objects](https://github.com/materialsproject/pymatgen/blob/master/pymatgen/analysis/elasticity/elastic.py)
These are pymatgen [tensors](https://github.com/materialsproject/pymatgen/blob/master/src/pymatgen/analysis/elasticity/tensors.py),
more specifically [ElasticTensor objects](https://github.com/materialsproject/pymatgen/blob/master/src/pymatgen/analysis/elasticity/elastic.py)
so we have access to several useful methods.
To get the Voigt bulk modulus, use:

Expand All @@ -279,7 +279,7 @@ edata.get_elastic_properties_dataframe(properties_as_index=True)
```

For the meaning of the different quantities please consult the
[pymatgen module](https://github.com/materialsproject/pymatgen/blob/master/pymatgen/analysis/elasticity/elastic.py).
[pymatgen module](https://github.com/materialsproject/pymatgen/blob/master/src/pymatgen/analysis/elasticity/elastic.py).

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8 changes: 3 additions & 5 deletions abipy_book/eph_isotc/lesson_eph_isotc.md
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Expand Up @@ -173,10 +173,9 @@ The resolution in q-space can be improved by interpolating the DFPT potentials v

The general theory of electron-phonon coupling and Eliashberg superconductivity is reviewed
by P.B. Allen and B. Mitrovic
in [Theory of Superconducting Tc](https://www.sciencedirect.com/science/article/pii/S0081194708606657).
in [Theory of Superconducting Tc](https://doi.org/10.1016/S0081-1947(08)60665-7).
The first implementations similar to that in Abinit are those in
[Savrasov](https://doi.org/10.1103/PhysRevB.54.16487) and
[Liu](https://doi.org/10.1103/PhysRevB.53.R7575).
[Savrasov](https://doi.org/10.1103/PhysRevB.54.16487) and [Liu](https://doi.org/10.1103/PhysRevB.53.R7575).

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Expand Down Expand Up @@ -257,8 +256,7 @@ in a single workflow the *electronic* properties, the *vibrational* spectrum
and the *phonon linewidths* with different k-point samplings.

Note that we have already encountered similar flows in the previous AbiPy lessons.
The calculation of electronic band structures is
discussed in
The calculation of electronic band structures is discussed in
[lesson_base3](https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/base3/lesson_base3.ipynb)
while an example of `Flow` for phonon calculations is given in
[lesson_dfpt](https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/dfpt/lesson_dfpt.ipynb).
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32 changes: 16 additions & 16 deletions abipy_book/intro.md
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Expand Up @@ -2,13 +2,13 @@

Welcome to the AbiPy Jupyter Book!
This book contains notebook-based documentation for [AbiPy](https://github.com/abinit/abipy).
This augments our Sphinx-based [documentation](http://abinit.github.io/abipy>) with jupyter notebooks
This augments our Sphinx-based [documentation](https://abinit.github.io/abipy>) with jupyter notebooks
containing interactive tutorials and examples.

Additional examples are available on the:

* [AbiPy plot gallery](http://abinit.github.io/abipy/gallery/index.html)
* [AbiPy flow gallery](http://abinit.github.io/abipy/flow_gallery/index.html)
* [AbiPy plot gallery](https://abinit.github.io/abipy/gallery/index.html)
* [AbiPy flow gallery](https://abinit.github.io/abipy/flow_gallery/index.html)
* [Matgenb website](https://matgenb.materialsvirtuallab.org)

Beginners should typically start with the three notebooks on Abipy objects,
Expand All @@ -19,31 +19,31 @@ and then examine the flows notebook.

## AbiPy Objects

* [Structure](structure.html): The crystalline structure
* [Abinit Input](abinit_input.html): How to create an `AbinitInput`
* [Input Factories](input_factories.html): Generating input files for high-throughput calculations
* [Structure](structure): The crystalline structure
* [Abinit Input](abinit_input): How to create an `AbinitInput`
* [Input Factories](input_factories): Generating input files for high-throughput calculations

+++

## Output files supported by AbiPy

* [GSR.nc](gsr.html): File with ground-state results produced by SCF/NSCF runs.
* [HIST.nc](hist.html): File produced by structural relaxations and MD runs
* [FATBANDS.nc](efatbands.html): Plot electronic fatbands and L-projected DOS
* [DDB](ddb.html): Tools to analyze phonons
* [SIGRES.nc](sigres.html): How to analyze the results of $GW$ calculations
* [MDF.nc](mdf.html): How to analyze the results of Bethe-Salpeter calculations
* [Lobster](lobster.html): How to analyze the output files produced by Lobster
* [ABIWAN.nc](abiwan.html): How to analyze the Wannier90 wout file and the netcdf file produced by Abinit
* [GSR.nc](gsr): File with ground-state results produced by SCF/NSCF runs.
* [HIST.nc](hist): File produced by structural relaxations and MD runs
* [FATBANDS.nc](efatbands): Plot electronic fatbands and L-projected DOS
* [DDB](ddb): Tools to analyze phonons
* [SIGRES.nc](sigres): How to analyze the results of $GW$ calculations
* [MDF.nc](mdf): How to analyze the results of Bethe-Salpeter calculations
* [Lobster](lobster): How to analyze the output files produced by Lobster
* [ABIWAN.nc](abiwan): How to analyze the Wannier90 wout file and the netcdf file produced by Abinit

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## AbiPy Workflows

* [Flows](flows.html): How to automate calculations with `Flows`, `Works` and `Tasks`
* [Flows](/flows.html): How to automate calculations with `Flows`, `Works` and `Tasks`

This notebook is complemented with the documentation on the
[TaskManager Configuration](http://abinit.github.io/abipy/workflows/taskmanager.html):
[TaskManager Configuration](https://abinit.github.io/abipy/workflows/taskmanager.html):
How to specify options in `manager.yml` and `scheduler.yml`

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