deploy: f10072e

molssi-seamm · Jan 12, 2024 · e42c498 · e42c498
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diff --git a/.buildinfo b/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: a41d87d61a222967b2ae7b6216c0849d
+config: 0c17c5de298ada7a80b1d07037cb3832
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/_modules/index.html b/_modules/index.html
@@ -2,12 +2,12 @@
 <!DOCTYPE html>
 
 
-<html lang="en" >
+<html lang="en" data-content_root="../" >
 
   <head>
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-    <title>Overview: module code &#8212; SEAMM Psi4 Plug-in 2023.10.23 documentation</title>
+    <title>Overview: module code &#8212; SEAMM Psi4 Plug-in 2024.1.11 documentation</title>
 
 
 
@@ -17,25 +17,25 @@
   </script>
 
   <!-- Loaded before other Sphinx assets -->
-  <link href="../_static/styles/theme.css?digest=ac02cc09edc035673794" rel="stylesheet" />
-<link href="../_static/styles/bootstrap.css?digest=ac02cc09edc035673794" rel="stylesheet" />
-<link href="../_static/styles/pydata-sphinx-theme.css?digest=ac02cc09edc035673794" rel="stylesheet" />
+  <link href="../_static/styles/theme.css?digest=bd9e20870c6007c4c509" rel="stylesheet" />
+<link href="../_static/styles/bootstrap.css?digest=bd9e20870c6007c4c509" rel="stylesheet" />
+<link href="../_static/styles/pydata-sphinx-theme.css?digest=bd9e20870c6007c4c509" rel="stylesheet" />
 
 
-  <link href="../_static/vendor/fontawesome/6.1.2/css/all.min.css?digest=ac02cc09edc035673794" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.1.2/webfonts/fa-solid-900.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.1.2/webfonts/fa-brands-400.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.1.2/webfonts/fa-regular-400.woff2" />
+  <link href="../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=bd9e20870c6007c4c509" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=80d5e7a1" />
     <link rel="stylesheet" type="text/css" href="../_static/copybutton.css?v=76b2166b" />
     <link rel="stylesheet" type="text/css" href="../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
     <link rel="stylesheet" type="text/css" href="../_static/css/custom.css?v=c224919a" />
 
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../_static/scripts/bootstrap.js?digest=ac02cc09edc035673794" />
-<link rel="preload" as="script" href="../_static/scripts/pydata-sphinx-theme.js?digest=ac02cc09edc035673794" />
-  <script src="../_static/vendor/fontawesome/6.1.2/js/all.min.js?digest=ac02cc09edc035673794"></script>
+  <link rel="preload" as="script" href="../_static/scripts/bootstrap.js?digest=bd9e20870c6007c4c509" />
+<link rel="preload" as="script" href="../_static/scripts/pydata-sphinx-theme.js?digest=bd9e20870c6007c4c509" />
+  <script src="../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=bd9e20870c6007c4c509"></script>
 
 <!-- Google Tag Manager -->
 <script>(function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':
@@ -45,7 +45,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="../_static/documentation_options.js?v=62bbcea1"></script>
+    <script src="../_static/documentation_options.js?v=b8a779e4"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../_static/clipboard.min.js?v=a7894cd8"></script>
@@ -64,7 +64,7 @@
 
 
 
-  <a class="skip-link" href="#main-content">Skip to main content</a>
+  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
 
   <div id="pst-scroll-pixel-helper"></div>
 
@@ -107,8 +107,10 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <header>
 
-    <nav class="bd-header navbar navbar-expand-lg bd-navbar">
+    <div class="bd-header navbar navbar-expand-lg bd-navbar">
 <div class="bd-header__inner bd-page-width">
   <label class="sidebar-toggle primary-toggle" for="__primary">
     <span class="fa-solid fa-bars"></span>
@@ -118,20 +120,22 @@
   <div class="col-lg-3 navbar-header-items__start">
 
       <div class="navbar-item">
+
 
 
 <a class="navbar-brand logo" href="../index.html">
 
 
 
 
+
 
 
 
 
 
-    <img src="../_static/SEAMM logo.png" class="logo__image only-light" alt="Logo image"/>
-    <script>document.write(`<img src="../_static/SEAMM inverted.png" class="logo__image only-dark" alt="Logo image"/>`);</script>
+    <img src="../_static/SEAMM logo.png" class="logo__image only-light" alt=""/>
+    <script>document.write(`<img src="../_static/SEAMM inverted.png" class="logo__image only-dark" alt=""/>`);</script>
 
 
     <p class="title logo__title">Psi4</p>
@@ -144,13 +148,8 @@
 
     <div class="me-auto navbar-header-items__center">
 
-        <div class="navbar-item"><nav class="navbar-nav">
-  <p class="sidebar-header-items__title"
-     role="heading"
-     aria-level="1"
-     aria-label="Site Navigation">
-    Site Navigation
-  </p>
+        <div class="navbar-item">
+<nav class="navbar-nav">
   <ul class="bd-navbar-elements navbar-nav">
 
                     <li class="nav-item">
@@ -181,10 +180,10 @@
                     </li>
 
             <li class="nav-item dropdown">
-                <button class="btn dropdown-toggle nav-item" type="button" data-bs-toggle="dropdown" aria-expanded="false" aria-controls="pst-header-nav-more-links">
+                <button class="btn dropdown-toggle nav-item" type="button" data-bs-toggle="dropdown" aria-expanded="false" aria-controls="pst-nav-more-links">
                     More
                 </button>
-                <ul id="pst-header-nav-more-links" class="dropdown-menu">
+                <ul id="pst-nav-more-links" class="dropdown-menu">
 
                     <li class="nav-item">
                       <a class="nav-link dropdown-item nav-internal" href="../authors.html">
@@ -226,6 +225,7 @@
 
         <div class="navbar-item navbar-persistent--container">
 
+
  <script>
  document.write(`
    <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
@@ -239,6 +239,7 @@
 
 
         <div class="navbar-item">
+
 <script>
 document.write(`
   <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
@@ -283,6 +284,7 @@
 
 
     <div class="navbar-persistent--mobile">
+
  <script>
  document.write(`
    <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
@@ -296,13 +298,23 @@
 
 
 
+    <label class="sidebar-toggle secondary-toggle" for="__secondary" tabindex="0">
+      <span class="fa-solid fa-outdent"></span>
+    </label>
+
 </div>
 
-    </nav>
+    </div>
 
+  </header>
+
   <div class="bd-container">
     <div class="bd-container__inner bd-page-width">
 
+
+
+
+
       <div class="bd-sidebar-primary bd-sidebar hide-on-wide">
 
 
@@ -312,13 +324,8 @@
 
       <div class="sidebar-header-items__center">
 
-          <div class="navbar-item"><nav class="navbar-nav">
-  <p class="sidebar-header-items__title"
-     role="heading"
-     aria-level="1"
-     aria-label="Site Navigation">
-    Site Navigation
-  </p>
+          <div class="navbar-item">
+<nav class="navbar-nav">
   <ul class="bd-navbar-elements navbar-nav">
 
                     <li class="nav-item">
@@ -349,10 +356,10 @@
                     </li>
 
             <li class="nav-item dropdown">
-                <button class="btn dropdown-toggle nav-item" type="button" data-bs-toggle="dropdown" aria-expanded="false" aria-controls="pst-header-nav-more-links">
+                <button class="btn dropdown-toggle nav-item" type="button" data-bs-toggle="dropdown" aria-expanded="false" aria-controls="pst-nav-more-links-2">
                     More
                 </button>
-                <ul id="pst-header-nav-more-links" class="dropdown-menu">
+                <ul id="pst-nav-more-links-2" class="dropdown-menu">
 
                     <li class="nav-item">
                       <a class="nav-link dropdown-item nav-internal" href="../authors.html">
@@ -394,6 +401,7 @@
       <div class="sidebar-header-items__end">
 
           <div class="navbar-item">
+
 <script>
 document.write(`
   <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
@@ -483,7 +491,7 @@
 
 
 <div id="searchbox"></div>
-                <article class="bd-article" role="main">
+                <article class="bd-article">
 
   <h1>All modules for which code is available</h1>
 <ul><li><a href="psi4_step/accelerated_optimization.html">psi4_step.accelerated_optimization</a></li>
@@ -520,7 +528,7 @@ <h1>All modules for which code is available</h1>
 
 
                 <footer class="prev-next-footer">
-                  <!-- Previous / next buttons -->
+
 <div class="prev-next-area">
 </div>
                 </footer>
@@ -529,6 +537,8 @@ <h1>All modules for which code is available</h1>
 
 
 
+                <div class="bd-sidebar-secondary bd-toc"></div>
+
 
           </div>
           <footer class="bd-footer-content">
@@ -540,8 +550,8 @@ <h1>All modules for which code is available</h1>
   </div>
 
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../_static/scripts/bootstrap.js?digest=ac02cc09edc035673794"></script>
-<script src="../_static/scripts/pydata-sphinx-theme.js?digest=ac02cc09edc035673794"></script>
+  <script src="../_static/scripts/bootstrap.js?digest=bd9e20870c6007c4c509"></script>
+<script src="../_static/scripts/pydata-sphinx-theme.js?digest=bd9e20870c6007c4c509"></script>
 
   <footer class="bd-footer">
 <div class="bd-footer__inner bd-page-width">
@@ -591,8 +601,9 @@ <h1>All modules for which code is available</h1>
 
     <div class="footer-items__end">
 
-        <div class="footer-item"><p class="theme-version">
-  Built with the <a href="https://pydata-sphinx-theme.readthedocs.io/en/stable/index.html">PyData Sphinx Theme</a> 0.14.1.
+        <div class="footer-item">
+<p class="theme-version">
+  Built with the <a href="https://pydata-sphinx-theme.readthedocs.io/en/stable/index.html">PyData Sphinx Theme</a> 0.15.1.
 </p></div>
 
     </div>