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Documenter.jl committed Nov 29, 2024
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{"documenter":{"julia_version":"1.11.1","generation_timestamp":"2024-11-29T20:02:56","documenter_version":"1.8.0"}}
{"documenter":{"julia_version":"1.11.1","generation_timestamp":"2024-11-29T20:06:53","documenter_version":"1.8.0"}}
2 changes: 1 addition & 1 deletion dev/index.html
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"dojo.nc.sr.lda.v0_4_1.oncvpsp3.standard.upf"
"dojo.nc.fr.pbe.v0_4.oncvpsp3.stringent.upf"
"dojo.nc.fr.pbesol.v0_4.oncvpsp3.stringent.upf"
&quot;dojo.nc.sr.pbe.v0_4_1.oncvpsp3.stringent.upf&quot;</code></pre><p>The naming convention is as that each pseudo family name consists of a list of fields, which are concatenated using a <code>.</code> (dot). These are:</p><ol><li>An identifier for the pseudo family (like <code>dojo</code> for the <a href="http://www.pseudo-dojo.org/">PseudoDojo</a> family of potentials.</li><li>The type of pseudopotential (<code>nc</code>: norm-conserving, <code>us</code>: ultrasoft, <code>paw</code>: projected augmented wave)</li><li>Details on the level of relativistic effects employed when generating the pseudo (<code>fr</code>: Full relativistic, <code>sr</code>: Scalar relativistic, <code>nr</code>: No relativistic)</li><li>The functional for which the pseudopotential was prepared</li><li>The version of the pseudopotential construction (with version points replaced by underscores)</li><li>The program used to generate the pseudopotential</li><li>Some additional comments specifying the pseudopotential. E.g. for PseudoDojo potentials there is usually a <code>stringent</code> version (requiring slightly larger cutoffs) and a <code>standard</code> version being a bit softer.</li><li>The format of the pseudopotential files in this library.</li></ol><p>More details on the meaning of these keys will be provided at a later stage. Some information is also available in the README of the <a href="https://github.com/JuliaMolSim/PseudoLibrary/blob/7c4b71a3b9d70a229d757aa6d546ef22b83a85a9/README.md">PseudoLibrary</a> repository.</p><h2 id="Interface"><a class="docs-heading-anchor" href="#Interface">Interface</a><a id="Interface-1"></a><a class="docs-heading-anchor-permalink" href="#Interface" title="Permalink"></a></h2><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="PseudoPotentialData.families" href="#PseudoPotentialData.families"><code>PseudoPotentialData.families</code></a> — <span class="docstring-category">Constant</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><p>The list of all known pseudopotential families.</p></div><a class="docs-sourcelink" target="_blank" href="https://github.com/JuliaMolSim/PseudoPotentialData.jl/blob/7e60079b3386853c497c132ffbdaea88ee197142/src/PseudoPotentialData.jl#L27">source</a></section></article><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="PseudoPotentialData.PseudoFamily-Tuple{AbstractString}" href="#PseudoPotentialData.PseudoFamily-Tuple{AbstractString}"><code>PseudoPotentialData.PseudoFamily</code></a> — <span class="docstring-category">Method</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><p>Construction of a PseudoFamily from a <code>identifier</code> representing the pseudopotential family to use. For a list of valid identifier, see <a href="#PseudoPotentialData.family_identifiers-Tuple{}"><code>family_identifiers</code></a>. A <code>PseudoFamily</code> is an `AbstractDict{Symbol,String} mapping from an element symbol to the full path of the pseudopotential file.</p></div><a class="docs-sourcelink" target="_blank" href="https://github.com/JuliaMolSim/PseudoPotentialData.jl/blob/7e60079b3386853c497c132ffbdaea88ee197142/src/pseudofamily.jl#L14-L20">source</a></section></article><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="PseudoPotentialData.artifact_directory-Tuple{PseudoFamily}" href="#PseudoPotentialData.artifact_directory-Tuple{PseudoFamily}"><code>PseudoPotentialData.artifact_directory</code></a> — <span class="docstring-category">Method</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><p>Return the directory containing the pseudo files. This downloads the artifact if necessary.</p></div><a class="docs-sourcelink" target="_blank" href="https://github.com/JuliaMolSim/PseudoPotentialData.jl/blob/7e60079b3386853c497c132ffbdaea88ee197142/src/pseudofamily.jl#L56-L59">source</a></section></article><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="PseudoPotentialData.available_elements-Tuple{PseudoFamily}" href="#PseudoPotentialData.available_elements-Tuple{PseudoFamily}"><code>PseudoPotentialData.available_elements</code></a> — <span class="docstring-category">Method</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><p>Return the list of all pseudopotential files in the artifact</p></div><a class="docs-sourcelink" target="_blank" href="https://github.com/JuliaMolSim/PseudoPotentialData.jl/blob/7e60079b3386853c497c132ffbdaea88ee197142/src/pseudofamily.jl#L64">source</a></section></article><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="PseudoPotentialData.family_identifiers-Tuple{}" href="#PseudoPotentialData.family_identifiers-Tuple{}"><code>PseudoPotentialData.family_identifiers</code></a> — <span class="docstring-category">Method</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><p>Get the list of available pseudopotential family identifiers.</p></div><a class="docs-sourcelink" target="_blank" href="https://github.com/JuliaMolSim/PseudoPotentialData.jl/blob/7e60079b3386853c497c132ffbdaea88ee197142/src/PseudoPotentialData.jl#L15">source</a></section></article><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="PseudoPotentialData.pseudofile-Tuple{PseudoFamily, Symbol}" href="#PseudoPotentialData.pseudofile-Tuple{PseudoFamily, Symbol}"><code>PseudoPotentialData.pseudofile</code></a> — <span class="docstring-category">Method</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><p>Get the full path to the file containing the pseudopotential information for a particular <code>element</code> (identified by an atomic symbol) and a particular pseudopotential <code>family</code>.</p></div><a class="docs-sourcelink" target="_blank" href="https://github.com/JuliaMolSim/PseudoPotentialData.jl/blob/7e60079b3386853c497c132ffbdaea88ee197142/src/pseudofamily.jl#L75-L79">source</a></section></article></article><nav class="docs-footer"><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</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="auto">Automatic (OS)</option><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="catppuccin-latte">catppuccin-latte</option><option value="catppuccin-frappe">catppuccin-frappe</option><option value="catppuccin-macchiato">catppuccin-macchiato</option><option value="catppuccin-mocha">catppuccin-mocha</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.8.0 on <span class="colophon-date" title="Friday 29 November 2024 20:02">Friday 29 November 2024</span>. Using Julia version 1.11.1.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
&quot;dojo.nc.sr.pbe.v0_4_1.oncvpsp3.stringent.upf&quot;</code></pre><p>The naming convention is as that each pseudo family name consists of a list of fields, which are concatenated using a <code>.</code> (dot). These are:</p><ol><li>An identifier for the pseudo family (like <code>dojo</code> for the <a href="http://www.pseudo-dojo.org/">PseudoDojo</a> family of potentials.</li><li>The type of pseudopotential (<code>nc</code>: norm-conserving, <code>us</code>: ultrasoft, <code>paw</code>: projected augmented wave)</li><li>Details on the level of relativistic effects employed when generating the pseudo (<code>fr</code>: Full relativistic, <code>sr</code>: Scalar relativistic, <code>nr</code>: No relativistic)</li><li>The functional for which the pseudopotential was prepared</li><li>The version of the pseudopotential construction (with version points replaced by underscores)</li><li>The program used to generate the pseudopotential</li><li>Some additional comments specifying the pseudopotential. E.g. for PseudoDojo potentials there is usually a <code>stringent</code> version (requiring slightly larger cutoffs) and a <code>standard</code> version being a bit softer.</li><li>The format of the pseudopotential files in this library.</li></ol><p>More details on the meaning of these keys will be provided at a later stage. Some information is also available in the README of the <a href="https://github.com/JuliaMolSim/PseudoLibrary/blob/7c4b71a3b9d70a229d757aa6d546ef22b83a85a9/README.md">PseudoLibrary</a> repository.</p><h2 id="Interface"><a class="docs-heading-anchor" href="#Interface">Interface</a><a id="Interface-1"></a><a class="docs-heading-anchor-permalink" href="#Interface" title="Permalink"></a></h2><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="PseudoPotentialData.families" href="#PseudoPotentialData.families"><code>PseudoPotentialData.families</code></a> — <span class="docstring-category">Constant</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><p>The list of all known pseudopotential families.</p></div><a class="docs-sourcelink" target="_blank" href="https://github.com/JuliaMolSim/PseudoPotentialData.jl/blob/a4f8a3d4721eabf5207c0e16f0d8a5e0877cdada/src/PseudoPotentialData.jl#L27">source</a></section></article><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="PseudoPotentialData.PseudoFamily-Tuple{AbstractString}" href="#PseudoPotentialData.PseudoFamily-Tuple{AbstractString}"><code>PseudoPotentialData.PseudoFamily</code></a> — <span class="docstring-category">Method</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><p>Construction of a PseudoFamily from a <code>identifier</code> representing the pseudopotential family to use. For a list of valid identifier, see <a href="#PseudoPotentialData.family_identifiers-Tuple{}"><code>family_identifiers</code></a>. A <code>PseudoFamily</code> is an `AbstractDict{Symbol,String} mapping from an element symbol to the full path of the pseudopotential file.</p></div><a class="docs-sourcelink" target="_blank" href="https://github.com/JuliaMolSim/PseudoPotentialData.jl/blob/a4f8a3d4721eabf5207c0e16f0d8a5e0877cdada/src/pseudofamily.jl#L14-L20">source</a></section></article><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="PseudoPotentialData.artifact_directory-Tuple{PseudoFamily}" href="#PseudoPotentialData.artifact_directory-Tuple{PseudoFamily}"><code>PseudoPotentialData.artifact_directory</code></a> — <span class="docstring-category">Method</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><p>Return the directory containing the pseudo files. This downloads the artifact if necessary.</p></div><a class="docs-sourcelink" target="_blank" href="https://github.com/JuliaMolSim/PseudoPotentialData.jl/blob/a4f8a3d4721eabf5207c0e16f0d8a5e0877cdada/src/pseudofamily.jl#L56-L59">source</a></section></article><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="PseudoPotentialData.available_elements-Tuple{PseudoFamily}" href="#PseudoPotentialData.available_elements-Tuple{PseudoFamily}"><code>PseudoPotentialData.available_elements</code></a> — <span class="docstring-category">Method</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><p>Return the list of all pseudopotential files in the artifact</p></div><a class="docs-sourcelink" target="_blank" href="https://github.com/JuliaMolSim/PseudoPotentialData.jl/blob/a4f8a3d4721eabf5207c0e16f0d8a5e0877cdada/src/pseudofamily.jl#L64">source</a></section></article><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="PseudoPotentialData.family_identifiers-Tuple{}" href="#PseudoPotentialData.family_identifiers-Tuple{}"><code>PseudoPotentialData.family_identifiers</code></a> — <span class="docstring-category">Method</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><p>Get the list of available pseudopotential family identifiers.</p></div><a class="docs-sourcelink" target="_blank" href="https://github.com/JuliaMolSim/PseudoPotentialData.jl/blob/a4f8a3d4721eabf5207c0e16f0d8a5e0877cdada/src/PseudoPotentialData.jl#L15">source</a></section></article><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="PseudoPotentialData.pseudofile-Tuple{PseudoFamily, Symbol}" href="#PseudoPotentialData.pseudofile-Tuple{PseudoFamily, Symbol}"><code>PseudoPotentialData.pseudofile</code></a> — <span class="docstring-category">Method</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><p>Get the full path to the file containing the pseudopotential information for a particular <code>element</code> (identified by an atomic symbol) and a particular pseudopotential <code>family</code>.</p></div><a class="docs-sourcelink" target="_blank" href="https://github.com/JuliaMolSim/PseudoPotentialData.jl/blob/a4f8a3d4721eabf5207c0e16f0d8a5e0877cdada/src/pseudofamily.jl#L75-L79">source</a></section></article></article><nav class="docs-footer"><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</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="auto">Automatic (OS)</option><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="catppuccin-latte">catppuccin-latte</option><option value="catppuccin-frappe">catppuccin-frappe</option><option value="catppuccin-macchiato">catppuccin-macchiato</option><option value="catppuccin-mocha">catppuccin-mocha</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.8.0 on <span class="colophon-date" title="Friday 29 November 2024 20:06">Friday 29 November 2024</span>. Using Julia version 1.11.1.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>

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