-
Notifications
You must be signed in to change notification settings - Fork 0
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Update. Now the main part of the documentation finishes.
- Loading branch information
1 parent
722d6df
commit 80c79a2
Showing
8 changed files
with
10 additions
and
10 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -9,4 +9,4 @@ | |
# In pkg mode of REPL: | ||
# (@v1.8) pkg> add [email protected]</code></pre><p>It is shown that <em>[email protected]</em> and <em>[email protected]</em> runs well on Windows 10 (10.0.19044) and WSL Ubuntu (22.04.1 LTS).</p></div></div><h3 id="Configuring-Python-and-PySCF"><a class="docs-heading-anchor" href="#Configuring-Python-and-PySCF">Configuring Python and PySCF</a><a id="Configuring-Python-and-PySCF-1"></a><a class="docs-heading-anchor-permalink" href="#Configuring-Python-and-PySCF" title="Permalink"></a></h3><p>Currently the <a href="theory1_initial_conditions/#MOADK">MO-ADK</a> and <a href="theory1_initial_conditions/#WFAT">WFAT</a> features related to molecules rely on the <a href="https://github.com/pyscf/pyscf">PySCF</a> python package. <em>SemiclassicalSFI.jl</em> calls the PySCF using the <a href="https://github.com/JuliaPy/PyCall.jl">PyCall.jl</a> package. There are two ways to set up the Python environment used by PyCall, here we suggest using your local Python environment for convenience.</p><p>To correctly set up the configuration of PyCall, first, set the <code>PYTHON</code> environment variable to your Python executable, and build the PyCall package:</p><pre><code class="language-julia hljs">ENV["PYTHON"] = "path/to/python_exec" | ||
using Pkg | ||
Pkg.build("PyCall")</code></pre><p>And don't forget to install PySCF in your Python via pip:</p><pre><code class="nohighlight hljs">$ pip3 install pyscf</code></pre><div class="admonition is-info"><header class="admonition-header">Note</header><div class="admonition-body"><p>Since the PySCF does not support the Windows, the molecular calculation must be performed on a Linux or macOS platform. However, for Windows users, they may install the <a href="https://learn.microsoft.com/en-us/windows/wsl/install">WSL</a> (Windows Subsystem for Linux), which supports the PySCF.</p></div></div><h2 id="Contributors"><a class="docs-heading-anchor" href="#Contributors">Contributors</a><a id="Contributors-1"></a><a class="docs-heading-anchor-permalink" href="#Contributors" title="Permalink"></a></h2><ul><li><a href="https://github.com/TheStarAlight">Mingyu Zhu</a> @ ECNU</li><li><a href="https://faculty.ecnu.edu.cn/_s29/nhc_en/main.psp">Hongcheng Ni</a> @ ECNU</li></ul><h2 id="License"><a class="docs-heading-anchor" href="#License">License</a><a id="License-1"></a><a class="docs-heading-anchor-permalink" href="#License" title="Permalink"></a></h2><p>This package is licensed under the Apache 2.0 license, and is copyrighted by Mingyu Zhu, Hongcheng Ni and the other contributors.</p><section class="footnotes is-size-7"><ul><li class="footnote" id="footnote-Corkum_1989"><a class="tag is-link" href="#citeref-Corkum_1989">Corkum_1989</a>P. B. Corkum <em>et al.</em>, Above-Threshold Ionization in the Long-Wavelength Limit. <em>Phys. Rev. Lett.</em> <strong>62</strong>(11), 1259–1262 (1989). DOI: <a href="https://dx.doi.org/10.1103/PhysRevLett.62.1259">10.1103/PhysRevLett.62.1259</a></li><li class="footnote" id="footnote-Hu_1997"><a class="tag is-link" href="#citeref-Hu_1997">Hu_1997</a>B. Hu <em>et al.</em>, Plateau in Above-Threshold-Ionization Spectra and Chaotic Behavior in Rescattering Processes. <em>Phys. Lett. A</em> <strong>236</strong>, 533–542 (1997). DOI: <a href="https://dx.doi.org/10.1016/S0375-9601(97)00811-6">10.1016/S0375-9601(97)00811-6</a></li></ul></section></article><nav class="docs-footer"><a class="docs-footer-nextpage" href="theory1_initial_conditions/">Initial Conditions »</a><div class="flexbox-break"></div><p class="footer-message">· <em>SemiclassicalSFI.jl</em> Documentation · by <em>Mingyu Zhu</em> and other contributors</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 0.27.25 on <span class="colophon-date" title="Sunday 23 July 2023 10:59">Sunday 23 July 2023</span>. Using Julia version 1.8.5.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html> | ||
Pkg.build("PyCall")</code></pre><p>And don't forget to install PySCF in your Python via pip:</p><pre><code class="nohighlight hljs">$ pip3 install pyscf</code></pre><div class="admonition is-info"><header class="admonition-header">Note</header><div class="admonition-body"><p>Since the PySCF does not support the Windows, the molecular calculation must be performed on a Linux or macOS platform. However, for Windows users, they may install the <a href="https://learn.microsoft.com/en-us/windows/wsl/install">WSL</a> (Windows Subsystem for Linux), which supports the PySCF.</p></div></div><h2 id="Contributors"><a class="docs-heading-anchor" href="#Contributors">Contributors</a><a id="Contributors-1"></a><a class="docs-heading-anchor-permalink" href="#Contributors" title="Permalink"></a></h2><ul><li><a href="https://github.com/TheStarAlight">Mingyu Zhu</a> @ ECNU</li><li><a href="https://faculty.ecnu.edu.cn/_s29/nhc_en/main.psp">Hongcheng Ni</a> @ ECNU</li></ul><h2 id="License"><a class="docs-heading-anchor" href="#License">License</a><a id="License-1"></a><a class="docs-heading-anchor-permalink" href="#License" title="Permalink"></a></h2><p>This package is licensed under the Apache 2.0 license, and is copyrighted by Mingyu Zhu, Hongcheng Ni and the other contributors.</p><section class="footnotes is-size-7"><ul><li class="footnote" id="footnote-Corkum_1989"><a class="tag is-link" href="#citeref-Corkum_1989">Corkum_1989</a>P. B. Corkum <em>et al.</em>, Above-Threshold Ionization in the Long-Wavelength Limit. <em>Phys. Rev. Lett.</em> <strong>62</strong>(11), 1259–1262 (1989). DOI: <a href="https://dx.doi.org/10.1103/PhysRevLett.62.1259">10.1103/PhysRevLett.62.1259</a></li><li class="footnote" id="footnote-Hu_1997"><a class="tag is-link" href="#citeref-Hu_1997">Hu_1997</a>B. Hu <em>et al.</em>, Plateau in Above-Threshold-Ionization Spectra and Chaotic Behavior in Rescattering Processes. <em>Phys. Lett. A</em> <strong>236</strong>, 533–542 (1997). DOI: <a href="https://dx.doi.org/10.1016/S0375-9601(97)00811-6">10.1016/S0375-9601(97)00811-6</a></li></ul></section></article><nav class="docs-footer"><a class="docs-footer-nextpage" href="theory1_initial_conditions/">Initial Conditions »</a><div class="flexbox-break"></div><p class="footer-message">· <em>SemiclassicalSFI.jl</em> Documentation · by <em>Mingyu Zhu</em> and other contributors</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 0.27.25 on <span class="colophon-date" title="Sunday 23 July 2023 14:09">Sunday 23 July 2023</span>. Using Julia version 1.8.5.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html> |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Oops, something went wrong.