diff --git a/index.html b/index.html
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@@ -3,7 +3,7 @@
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-<!-- 2020-12-03 Thu 17:58 -->
+<!-- 2020-12-03 Thu 18:00 -->
 <meta http-equiv="Content-Type" content="text/html;charset=utf-8" />
 <meta name="viewport" content="width=device-width, initial-scale=1" />
 <title>QMCkl source code documentation</title>
@@ -179,6 +179,12 @@
   .org-svg { width: 90%; }
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 </style>
+<link rel="stylesheet" type="text/css" href="https://fniessen.github.io/org-html-themes/src/readtheorg_theme/css/htmlize.css"/>
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+<script src="https://ajax.googleapis.com/ajax/libs/jquery/2.1.3/jquery.min.js"></script>
+<script src="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.4/js/bootstrap.min.js"></script>
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+<script type="text/javascript" src="https://fniessen.github.io/org-html-themes/src/readtheorg_theme/js/readtheorg.js"></script>
 <script type="text/javascript">
 /*
 @licstart  The following is the entire license notice for the
@@ -255,67 +261,67 @@ for the JavaScript code in this tag.
 <h2>Table of Contents</h2>
 <div id="text-table-of-contents">
 <ul>
-<li><a href="#org310af82">1. Introduction</a>
+<li><a href="#org335b8ad">1. Introduction</a>
 <ul>
-<li><a href="#org087e6be">1.1. Language used</a></li>
-<li><a href="#org31c12e1">1.2. Source code editing</a></li>
-<li><a href="#orgc75ef62">1.3. Writing in Fortran</a></li>
-<li><a href="#orgb112e8c">1.4. Coding style</a></li>
-<li><a href="#orgcaa0902">1.5. Design of the library</a>
+<li><a href="#org975c069">1.1. Language used</a></li>
+<li><a href="#orgd9a3d74">1.2. Source code editing</a></li>
+<li><a href="#org7fa05fe">1.3. Writing in Fortran</a></li>
+<li><a href="#org1b3441f">1.4. Coding style</a></li>
+<li><a href="#org37ab598">1.5. Design of the library</a>
 <ul>
-<li><a href="#org746b2d9">1.5.1. Naming conventions</a></li>
-<li><a href="#org9a31e2a">1.5.2. Application programming interface</a></li>
-<li><a href="#org90879bd">1.5.3. Global state</a></li>
-<li><a href="#orgbfa7bca">1.5.4. Low-level functions</a></li>
-<li><a href="#org861cdf1">1.5.5. High-level functions</a></li>
-<li><a href="#orgd45293d">1.5.6. Numerical precision</a></li>
+<li><a href="#org040bea0">1.5.1. Naming conventions</a></li>
+<li><a href="#orgd24dcc0">1.5.2. Application programming interface</a></li>
+<li><a href="#org4fbc31d">1.5.3. Global state</a></li>
+<li><a href="#orgb33c82b">1.5.4. Low-level functions</a></li>
+<li><a href="#org7636c25">1.5.5. High-level functions</a></li>
+<li><a href="#org503220e">1.5.6. Numerical precision</a></li>
 </ul>
 </li>
-<li><a href="#org4b0a248">1.6. Algorithms</a></li>
-<li><a href="#org381d564">1.7. Rules for the API</a></li>
+<li><a href="#org240c3cd">1.6. Algorithms</a></li>
+<li><a href="#org43d8314">1.7. Rules for the API</a></li>
 </ul>
 </li>
-<li><a href="#org78c5f91">2. Documentation</a>
+<li><a href="#orgf6cb0a7">2. Documentation</a>
 <ul>
-<li><a href="#org4d4a12c">2.1. <code>qmckl.h</code> header file</a>
+<li><a href="#orgbb43cd1">2.1. <code>qmckl.h</code> header file</a>
 <ul>
-<li><a href="#orgb081392">2.1.1. Constants</a></li>
+<li><a href="#org482c5f0">2.1.1. Constants</a></li>
 </ul>
 </li>
-<li><a href="#org60b06da">2.2. Memory management</a>
+<li><a href="#orgb3794b5">2.2. Memory management</a>
 <ul>
-<li><a href="#org3dfa705">2.2.1. <code>qmckl_malloc</code></a></li>
-<li><a href="#orge6f6865">2.2.2. <code>qmckl_free</code></a></li>
+<li><a href="#org1501ebd">2.2.1. <code>qmckl_malloc</code></a></li>
+<li><a href="#orga7d25af">2.2.2. <code>qmckl_free</code></a></li>
 </ul>
 </li>
-<li><a href="#org8ef3c07">2.3. Context</a>
+<li><a href="#orgb4bf6c5">2.3. Context</a>
 <ul>
-<li><a href="#org1d1904b">2.3.1. Context</a></li>
-<li><a href="#org4005c51">2.3.2. Basis set</a></li>
-<li><a href="#orge1d8cf0">2.3.3. Precision</a></li>
+<li><a href="#orgdd38676">2.3.1. Context</a></li>
+<li><a href="#org354ee46">2.3.2. Basis set</a></li>
+<li><a href="#orgcc5fd18">2.3.3. Precision</a></li>
 </ul>
 </li>
-<li><a href="#orgad73734">2.4. Computation of distances</a>
+<li><a href="#orga3e42f5">2.4. Computation of distances</a>
 <ul>
-<li><a href="#orgd5cdfbc">2.4.1. Squared distance</a></li>
+<li><a href="#orgcab1734">2.4.1. Squared distance</a></li>
 </ul>
 </li>
-<li><a href="#orgb9a20be">2.5. Atomic Orbitals</a>
+<li><a href="#org031a382">2.5. Atomic Orbitals</a>
 <ul>
-<li><a href="#orgdebe598">2.5.1. Polynomials</a></li>
-<li><a href="#orgcac1a08">2.5.2. Gaussian basis functions</a></li>
-<li><a href="#orgbe95389">2.5.3. <span class="todo TODO">TODO</span> Slater basis functions</a></li>
+<li><a href="#org8371761">2.5.1. Polynomials</a></li>
+<li><a href="#org859d9a6">2.5.2. Gaussian basis functions</a></li>
+<li><a href="#org00a5e37">2.5.3. <span class="todo TODO">TODO</span> Slater basis functions</a></li>
 </ul>
 </li>
 </ul>
 </li>
-<li><a href="#org041b82f">3. Acknowledgments</a></li>
+<li><a href="#org3732fa8">3. Acknowledgments</a></li>
 </ul>
 </div>
 </div>
 
-<div id="outline-container-org310af82" class="outline-2">
-<h2 id="org310af82"><span class="section-number-2">1</span> Introduction</h2>
+<div id="outline-container-org335b8ad" class="outline-2">
+<h2 id="org335b8ad"><span class="section-number-2">1</span> Introduction</h2>
 <div class="outline-text-2" id="text-1">
 <p>
 The  ultimate  goal  of  QMCkl  is  to  provide  a  high-performance
@@ -342,8 +348,8 @@ compiled.
 </p>
 </div>
 
-<div id="outline-container-org087e6be" class="outline-3">
-<h3 id="org087e6be"><span class="section-number-3">1.1</span> Language used</h3>
+<div id="outline-container-org975c069" class="outline-3">
+<h3 id="org975c069"><span class="section-number-3">1.1</span> Language used</h3>
 <div class="outline-text-3" id="text-1-1">
 <p>
 Fortran is one of the most  common languages used by the community,
@@ -367,8 +373,8 @@ justified.
 </div>
 </div>
 
-<div id="outline-container-org31c12e1" class="outline-3">
-<h3 id="org31c12e1"><span class="section-number-3">1.2</span> Source code editing</h3>
+<div id="outline-container-orgd9a3d74" class="outline-3">
+<h3 id="orgd9a3d74"><span class="section-number-3">1.2</span> Source code editing</h3>
 <div class="outline-text-3" id="text-1-2">
 <p>
 Any text  editor can be used  to edit org-mode files.  For a better
@@ -403,8 +409,8 @@ And pandoc can convert multiple markdown formats into org-mode.
 </div>
 </div>
 
-<div id="outline-container-orgc75ef62" class="outline-3">
-<h3 id="orgc75ef62"><span class="section-number-3">1.3</span> Writing in Fortran</h3>
+<div id="outline-container-org7fa05fe" class="outline-3">
+<h3 id="org7fa05fe"><span class="section-number-3">1.3</span> Writing in Fortran</h3>
 <div class="outline-text-3" id="text-1-3">
 <p>
 The  Fortran  source  files  should provide  a  C  interface  using
@@ -422,8 +428,8 @@ For more guidelines on using Fortran to generate a C interface, see
 </div>
 </div>
 
-<div id="outline-container-orgb112e8c" class="outline-3">
-<h3 id="orgb112e8c"><span class="section-number-3">1.4</span> Coding style</h3>
+<div id="outline-container-org1b3441f" class="outline-3">
+<h3 id="org1b3441f"><span class="section-number-3">1.4</span> Coding style</h3>
 <div class="outline-text-3" id="text-1-4">
 <p>
 To improve  readability, we maintain  a consistent coding  style in
@@ -442,8 +448,8 @@ Coding style can be automatically checked with <a href="https://clang.llvm.org/d
 </div>
 </div>
 
-<div id="outline-container-orgcaa0902" class="outline-3">
-<h3 id="orgcaa0902"><span class="section-number-3">1.5</span> Design of the library</h3>
+<div id="outline-container-org37ab598" class="outline-3">
+<h3 id="org37ab598"><span class="section-number-3">1.5</span> Design of the library</h3>
 <div class="outline-text-3" id="text-1-5">
 <p>
 The proposed API should allow the library to:
@@ -459,8 +465,8 @@ functions (see below).
 </p>
 </div>
 
-<div id="outline-container-org746b2d9" class="outline-4">
-<h4 id="org746b2d9"><span class="section-number-4">1.5.1</span> Naming conventions</h4>
+<div id="outline-container-org040bea0" class="outline-4">
+<h4 id="org040bea0"><span class="section-number-4">1.5.1</span> Naming conventions</h4>
 <div class="outline-text-4" id="text-1-5-1">
 <p>
 Use <code>qmckl_</code> as a prefix for all exported functions and variables.
@@ -485,8 +491,8 @@ form is allowed.
 </div>
 </div>
 
-<div id="outline-container-org9a31e2a" class="outline-4">
-<h4 id="org9a31e2a"><span class="section-number-4">1.5.2</span> Application programming interface</h4>
+<div id="outline-container-orgd24dcc0" class="outline-4">
+<h4 id="orgd24dcc0"><span class="section-number-4">1.5.2</span> Application programming interface</h4>
 <div class="outline-text-4" id="text-1-5-2">
 <p>
 The  application programming  interface  (API) is  designed to  be
@@ -515,8 +521,8 @@ bindings in other languages in other repositories.
 </div>
 </div>
 
-<div id="outline-container-org90879bd" class="outline-4">
-<h4 id="org90879bd"><span class="section-number-4">1.5.3</span> Global state</h4>
+<div id="outline-container-org4fbc31d" class="outline-4">
+<h4 id="org4fbc31d"><span class="section-number-4">1.5.3</span> Global state</h4>
 <div class="outline-text-4" id="text-1-5-3">
 <p>
 Global variables should  be avoided in the library,  because it is
@@ -543,8 +549,8 @@ versions can be destroyed with <code>qmckl_context_destroy</code>.
 </div>
 </div>
 
-<div id="outline-container-orgbfa7bca" class="outline-4">
-<h4 id="orgbfa7bca"><span class="section-number-4">1.5.4</span> Low-level functions</h4>
+<div id="outline-container-orgb33c82b" class="outline-4">
+<h4 id="orgb33c82b"><span class="section-number-4">1.5.4</span> Low-level functions</h4>
 <div class="outline-text-4" id="text-1-5-4">
 <p>
 Low-level functions are very simple  functions which are leaves of
@@ -559,8 +565,8 @@ if they need temporary memory it should be provided in input.
 </div>
 </div>
 
-<div id="outline-container-org861cdf1" class="outline-4">
-<h4 id="org861cdf1"><span class="section-number-4">1.5.5</span> High-level functions</h4>
+<div id="outline-container-org7636c25" class="outline-4">
+<h4 id="org7636c25"><span class="section-number-4">1.5.5</span> High-level functions</h4>
 <div class="outline-text-4" id="text-1-5-5">
 <p>
 High-level functions  are at  the top of  the function  call tree.
@@ -578,8 +584,8 @@ the <code>context</code> variable.
 </div>
 </div>
 
-<div id="outline-container-orgd45293d" class="outline-4">
-<h4 id="orgd45293d"><span class="section-number-4">1.5.6</span> Numerical precision</h4>
+<div id="outline-container-org503220e" class="outline-4">
+<h4 id="org503220e"><span class="section-number-4">1.5.6</span> Numerical precision</h4>
 <div class="outline-text-4" id="text-1-5-6">
 <p>
 The number of bits of precision  required for a function should be
@@ -593,8 +599,8 @@ variable.
 </div>
 </div>
 
-<div id="outline-container-org4b0a248" class="outline-3">
-<h3 id="org4b0a248"><span class="section-number-3">1.6</span> Algorithms</h3>
+<div id="outline-container-org240c3cd" class="outline-3">
+<h3 id="org240c3cd"><span class="section-number-3">1.6</span> Algorithms</h3>
 <div class="outline-text-3" id="text-1-6">
 <p>
 Reducing the scaling of an  algorithm usually implies also reducing
@@ -607,8 +613,8 @@ implemented adapted to different problem sizes.
 </div>
 </div>
 
-<div id="outline-container-org381d564" class="outline-3">
-<h3 id="org381d564"><span class="section-number-3">1.7</span> Rules for the API</h3>
+<div id="outline-container-org43d8314" class="outline-3">
+<h3 id="org43d8314"><span class="section-number-3">1.7</span> Rules for the API</h3>
 <div class="outline-text-3" id="text-1-7">
 <ul class="org-ul">
 <li><code>stdint</code> should be used for integers (<code>int32_t</code>, <code>int64_t</code>)</li>
@@ -620,12 +626,12 @@ implemented adapted to different problem sizes.
 </div>
 </div>
 
-<div id="outline-container-org78c5f91" class="outline-2">
-<h2 id="org78c5f91"><span class="section-number-2">2</span> Documentation</h2>
+<div id="outline-container-orgf6cb0a7" class="outline-2">
+<h2 id="orgf6cb0a7"><span class="section-number-2">2</span> Documentation</h2>
 <div class="outline-text-2" id="text-2">
 </div>
-<div id="outline-container-org4d4a12c" class="outline-3">
-<h3 id="org4d4a12c"><span class="section-number-3">2.1</span> <code>qmckl.h</code> header file</h3>
+<div id="outline-container-orgbb43cd1" class="outline-3">
+<h3 id="orgbb43cd1"><span class="section-number-3">2.1</span> <code>qmckl.h</code> header file</h3>
 <div class="outline-text-3" id="text-2-1">
 <p>
 This file produces the <code>qmckl.h</code> header file, which is to be included
@@ -637,12 +643,12 @@ We also create here the <code>qmckl_f.f90</code> which is the Fortran interface
 </p>
 </div>
 
-<div id="outline-container-orgb081392" class="outline-4">
-<h4 id="orgb081392"><span class="section-number-4">2.1.1</span> Constants</h4>
+<div id="outline-container-org482c5f0" class="outline-4">
+<h4 id="org482c5f0"><span class="section-number-4">2.1.1</span> Constants</h4>
 <div class="outline-text-4" id="text-2-1-1">
 </div>
 <ol class="org-ol">
-<li><a id="orgc9bc519"></a>Success/failure<br />
+<li><a id="org14c012b"></a>Success/failure<br />
 <div class="outline-text-5" id="text-2-1-1-1">
 <p>
 These are the codes returned by the functions to indicate success
@@ -667,7 +673,7 @@ or failure. All such functions should have as a return type <code>qmckl_exit_cod
 </div>
 </li>
 
-<li><a id="orgf3263cb"></a>Precision-related constants<br />
+<li><a id="orgbe1cb71"></a>Precision-related constants<br />
 <div class="outline-text-5" id="text-2-1-1-2">
 <p>
 Controlling numerical precision enables optimizations. Here, the
@@ -691,8 +697,8 @@ range are defined.
 </ol>
 </div>
 </div>
-<div id="outline-container-org60b06da" class="outline-3">
-<h3 id="org60b06da"><span class="section-number-3">2.2</span> Memory management</h3>
+<div id="outline-container-orgb3794b5" class="outline-3">
+<h3 id="orgb3794b5"><span class="section-number-3">2.2</span> Memory management</h3>
 <div class="outline-text-3" id="text-2-2">
 <p>
 We override the allocation functions to enable the possibility of
@@ -708,8 +714,8 @@ optimized libraries to fine-tune the memory allocation.
 </ul>
 </div>
 
-<div id="outline-container-org3dfa705" class="outline-4">
-<h4 id="org3dfa705"><span class="section-number-4">2.2.1</span> <code>qmckl_malloc</code></h4>
+<div id="outline-container-org1501ebd" class="outline-4">
+<h4 id="org1501ebd"><span class="section-number-4">2.2.1</span> <code>qmckl_malloc</code></h4>
 <div class="outline-text-4" id="text-2-2-1">
 <p>
 Memory allocation function, letting the library choose how the
@@ -734,7 +740,7 @@ memory will be allocated, and a pointer is returned to the user.
 </div>
 
 <ol class="org-ol">
-<li><a id="orgbab79a9"></a>Source<br />
+<li><a id="org59a2956"></a>Source<br />
 <div class="outline-text-5" id="text-2-2-1-1">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">void</span>* <span style="color: #0000ff;">qmckl_malloc</span>(<span style="color: #a020f0;">const</span> <span style="color: #228b22;">qmckl_context</span> <span style="color: #a0522d;">ctx</span>, <span style="color: #a020f0;">const</span> <span style="color: #228b22;">size_t</span> <span style="color: #a0522d;">size</span>) {
@@ -752,8 +758,8 @@ memory will be allocated, and a pointer is returned to the user.
 </ol>
 </div>
 
-<div id="outline-container-orge6f6865" class="outline-4">
-<h4 id="orge6f6865"><span class="section-number-4">2.2.2</span> <code>qmckl_free</code></h4>
+<div id="outline-container-orga7d25af" class="outline-4">
+<h4 id="orga7d25af"><span class="section-number-4">2.2.2</span> <code>qmckl_free</code></h4>
 <div class="outline-text-4" id="text-2-2-2">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">void</span> <span style="color: #0000ff;">qmckl_free</span>(<span style="color: #228b22;">void</span> *<span style="color: #a0522d;">ptr</span>);
@@ -771,7 +777,7 @@ memory will be allocated, and a pointer is returned to the user.
 </div>
 </div>
 <ol class="org-ol">
-<li><a id="org43741ca"></a>Source<br />
+<li><a id="orgcd777db"></a>Source<br />
 <div class="outline-text-5" id="text-2-2-2-1">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">void</span> <span style="color: #0000ff;">qmckl_free</span>(<span style="color: #228b22;">void</span> *<span style="color: #a0522d;">ptr</span>) {
@@ -784,8 +790,8 @@ memory will be allocated, and a pointer is returned to the user.
 </ol>
 </div>
 </div>
-<div id="outline-container-org8ef3c07" class="outline-3">
-<h3 id="org8ef3c07"><span class="section-number-3">2.3</span> Context</h3>
+<div id="outline-container-orgb4bf6c5" class="outline-3">
+<h3 id="orgb4bf6c5"><span class="section-number-3">2.3</span> Context</h3>
 <div class="outline-text-3" id="text-2-3">
 <p>
 This file is written in C because it is more natural to express the
@@ -801,8 +807,8 @@ context in C than in Fortran.
 </ul>
 </div>
 
-<div id="outline-container-org1d1904b" class="outline-4">
-<h4 id="org1d1904b"><span class="section-number-4">2.3.1</span> Context</h4>
+<div id="outline-container-orgdd38676" class="outline-4">
+<h4 id="orgdd38676"><span class="section-number-4">2.3.1</span> Context</h4>
 <div class="outline-text-4" id="text-2-3-1">
 <p>
 The context variable is a handle for the state of the library, and
@@ -820,7 +826,7 @@ A value of 0 for the context is equivalent to a <code>NULL</code> pointer.
 </div>
 
 <ol class="org-ol">
-<li><a id="orgf51dad6"></a>Basis set data structure<br />
+<li><a id="orgb38c7b4"></a>Basis set data structure<br />
 <div class="outline-text-5" id="text-2-3-1-1">
 <p>
 Data  structure for  the info  related to  the atomic  orbitals
@@ -846,7 +852,7 @@ basis set.
 </div>
 </li>
 
-<li><a id="orgaad5c9d"></a>Source<br />
+<li><a id="org2f75436"></a>Source<br />
 <div class="outline-text-5" id="text-2-3-1-2">
 <p>
 The tag is used internally to check if the memory domain pointed
@@ -879,7 +885,7 @@ by a pointer is a valid context.
 </div>
 </li>
 
-<li><a id="org2856c68"></a><code>qmckl_context_check</code><br />
+<li><a id="orgaee32b5"></a><code>qmckl_context_check</code><br />
 <div class="outline-text-5" id="text-2-3-1-3">
 <p>
 Checks if the  domain pointed by the pointer is  a valid context.
@@ -894,7 +900,7 @@ otherwise.
 </div>
 
 <ol class="org-ol">
-<li><a id="org6e79fdc"></a>Source<br />
+<li><a id="org7eca44b"></a>Source<br />
 <div class="outline-text-6" id="text-2-3-1-3-1">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">qmckl_context</span> <span style="color: #0000ff;">qmckl_context_check</span>(<span style="color: #a020f0;">const</span> <span style="color: #228b22;">qmckl_context</span> <span style="color: #a0522d;">context</span>) {
@@ -914,7 +920,7 @@ otherwise.
 </ol>
 </li>
 
-<li><a id="orgb8a9a1e"></a><code>qmckl_context_create</code><br />
+<li><a id="org949aa80"></a><code>qmckl_context_create</code><br />
 <div class="outline-text-5" id="text-2-3-1-4">
 <p>
 To create a new context, use <code>qmckl_context_create()</code>.
@@ -933,7 +939,7 @@ Returns <code>0</code> upon failure to allocate the internal data structure
 </div>
 
 <ol class="org-ol">
-<li><a id="org29746c6"></a>Source<br />
+<li><a id="orgaeebce9"></a>Source<br />
 <div class="outline-text-6" id="text-2-3-1-4-1">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">qmckl_context</span> <span style="color: #0000ff;">qmckl_context_create</span>() {
@@ -957,7 +963,7 @@ Returns <code>0</code> upon failure to allocate the internal data structure
 </div>
 </li>
 
-<li><a id="org70b0400"></a>Fortran interface<br />
+<li><a id="org3b55931"></a>Fortran interface<br />
 <div class="outline-text-6" id="text-2-3-1-4-2">
 <div class="org-src-container">
 <pre class="src src-f90"><span style="color: #a020f0;">interface</span>
@@ -972,7 +978,7 @@ Returns <code>0</code> upon failure to allocate the internal data structure
 </ol>
 </li>
 
-<li><a id="orgd91ee87"></a><code>qmckl_context_copy</code><br />
+<li><a id="org4ed37de"></a><code>qmckl_context_copy</code><br />
 <div class="outline-text-5" id="text-2-3-1-5">
 <p>
 This function makes a shallow copy of the current context.
@@ -993,7 +999,7 @@ for the new context
 </div>
 
 <ol class="org-ol">
-<li><a id="orgd76851b"></a>Source<br />
+<li><a id="org0b33fb3"></a>Source<br />
 <div class="outline-text-6" id="text-2-3-1-5-1">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">qmckl_context</span> <span style="color: #0000ff;">qmckl_context_copy</span>(<span style="color: #a020f0;">const</span> <span style="color: #228b22;">qmckl_context</span> <span style="color: #a0522d;">context</span>) {
@@ -1026,7 +1032,7 @@ for the new context
 </div>
 </li>
 
-<li><a id="orgf1090d1"></a>Fortran interface<br />
+<li><a id="orgaad248e"></a>Fortran interface<br />
 <div class="outline-text-6" id="text-2-3-1-5-2">
 <div class="org-src-container">
 <pre class="src src-f90"><span style="color: #a020f0;">interface</span>
@@ -1042,7 +1048,7 @@ for the new context
 </ol>
 </li>
 
-<li><a id="orgfe1524d"></a><code>qmckl_context_previous</code><br />
+<li><a id="org80da7b3"></a><code>qmckl_context_previous</code><br />
 <div class="outline-text-5" id="text-2-3-1-6">
 <p>
 Returns the previous context
@@ -1062,7 +1068,7 @@ Returns 0 for the 0-valued context
 </div>
 
 <ol class="org-ol">
-<li><a id="org07ab2e2"></a>Source<br />
+<li><a id="orgbc3ad1a"></a>Source<br />
 <div class="outline-text-6" id="text-2-3-1-6-1">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">qmckl_context</span> <span style="color: #0000ff;">qmckl_context_previous</span>(<span style="color: #a020f0;">const</span> <span style="color: #228b22;">qmckl_context</span> <span style="color: #a0522d;">context</span>) {
@@ -1080,7 +1086,7 @@ Returns 0 for the 0-valued context
 </div>
 </li>
 
-<li><a id="orgd646550"></a>Fortran interface<br />
+<li><a id="org304605b"></a>Fortran interface<br />
 <div class="outline-text-6" id="text-2-3-1-6-2">
 <div class="org-src-container">
 <pre class="src src-f90"><span style="color: #a020f0;">interface</span>
@@ -1096,7 +1102,7 @@ Returns 0 for the 0-valued context
 </ol>
 </li>
 
-<li><a id="org3716aaf"></a><code>qmckl_context_destroy</code><br />
+<li><a id="org1bc8a39"></a><code>qmckl_context_destroy</code><br />
 <div class="outline-text-5" id="text-2-3-1-7">
 <p>
 Destroys the current context, leaving the ancestors untouched.
@@ -1115,7 +1121,7 @@ Destroys the current context, leaving the ancestors untouched.
 </div>
 
 <ol class="org-ol">
-<li><a id="orgb8287c6"></a>Source<br />
+<li><a id="orgd8f8704"></a>Source<br />
 <div class="outline-text-6" id="text-2-3-1-7-1">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">qmckl_exit_code</span> <span style="color: #0000ff;">qmckl_context_destroy</span>(<span style="color: #a020f0;">const</span> <span style="color: #228b22;">qmckl_context</span> <span style="color: #a0522d;">context</span>) {
@@ -1135,7 +1141,7 @@ Destroys the current context, leaving the ancestors untouched.
 </div>
 </li>
 
-<li><a id="org6e49d04"></a>Fortran interface<br />
+<li><a id="org1a7b794"></a>Fortran interface<br />
 <div class="outline-text-6" id="text-2-3-1-7-2">
 <div class="org-src-container">
 <pre class="src src-f90"><span style="color: #a020f0;">interface</span>
@@ -1153,8 +1159,8 @@ Destroys the current context, leaving the ancestors untouched.
 </ol>
 </div>
 
-<div id="outline-container-org4005c51" class="outline-4">
-<h4 id="org4005c51"><span class="section-number-4">2.3.2</span> Basis set</h4>
+<div id="outline-container-org354ee46" class="outline-4">
+<h4 id="org354ee46"><span class="section-number-4">2.3.2</span> Basis set</h4>
 <div class="outline-text-4" id="text-2-3-2">
 <p>
 For H<sub>2</sub> with the following basis set, 
@@ -1202,7 +1208,7 @@ COEFFICIENT = [ 0.006068, 0.045308, 0.202822, 0.503903, 0.383421,
 </div>
 
 <ol class="org-ol">
-<li><a id="org038049f"></a><code>qmckl_context_update_ao_basis</code><br />
+<li><a id="org76121f7"></a><code>qmckl_context_update_ao_basis</code><br />
 <div class="outline-text-5" id="text-2-3-2-1">
 <p>
 Updates the data describing the AO basis set into the context.
@@ -1282,7 +1288,7 @@ Updates the data describing the AO basis set into the context.
 </div>
 
 <ol class="org-ol">
-<li><a id="org02170fd"></a>Source<br />
+<li><a id="org18a8eae"></a>Source<br />
 <div class="outline-text-6" id="text-2-3-2-1-1">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">qmckl_exit_code</span>
@@ -1401,7 +1407,7 @@ Updates the data describing the AO basis set into the context.
 </div>
 </li>
 
-<li><a id="org63ae508"></a>Fortran interface<br />
+<li><a id="org78a3ca6"></a>Fortran interface<br />
 <div class="outline-text-6" id="text-2-3-2-1-2">
 <div class="org-src-container">
 <pre class="src src-f90"><span style="color: #a020f0;">interface</span>
@@ -1427,11 +1433,11 @@ Updates the data describing the AO basis set into the context.
 </div>
 </li>
 
-<li><a id="org717fa93"></a><span class="todo TODO">TODO</span> Test<br /></li>
+<li><a id="orgd644733"></a><span class="todo TODO">TODO</span> Test<br /></li>
 </ol>
 </li>
 
-<li><a id="orgf0d1c4e"></a><code>qmckl_context_set_ao_basis</code><br />
+<li><a id="org0b9f000"></a><code>qmckl_context_set_ao_basis</code><br />
 <div class="outline-text-5" id="text-2-3-2-2">
 <p>
 Sets the data describing the AO basis set into the context.
@@ -1511,7 +1517,7 @@ Sets the data describing the AO basis set into the context.
 </div>
 
 <ol class="org-ol">
-<li><a id="orgef60eb6"></a>Source<br />
+<li><a id="orgeab5ed0"></a>Source<br />
 <div class="outline-text-6" id="text-2-3-2-2-1">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">qmckl_context</span>
@@ -1540,7 +1546,7 @@ Sets the data describing the AO basis set into the context.
 </div>
 </li>
 
-<li><a id="orgaf307b9"></a>Fortran interface<br />
+<li><a id="org311906a"></a>Fortran interface<br />
 <div class="outline-text-6" id="text-2-3-2-2-2">
 <div class="org-src-container">
 <pre class="src src-f90"><span style="color: #a020f0;">interface</span>
@@ -1566,14 +1572,14 @@ Sets the data describing the AO basis set into the context.
 </div>
 </li>
 
-<li><a id="orgc6f8e06"></a><span class="todo TODO">TODO</span> Test<br /></li>
+<li><a id="org612d721"></a><span class="todo TODO">TODO</span> Test<br /></li>
 </ol>
 </li>
 </ol>
 </div>
 
-<div id="outline-container-orge1d8cf0" class="outline-4">
-<h4 id="orge1d8cf0"><span class="section-number-4">2.3.3</span> Precision</h4>
+<div id="outline-container-orgcc5fd18" class="outline-4">
+<h4 id="orgcc5fd18"><span class="section-number-4">2.3.3</span> Precision</h4>
 <div class="outline-text-4" id="text-2-3-3">
 <p>
 The  following  functions  set   and  get  the  expected  required
@@ -1590,7 +1596,7 @@ integer.    The  update   functions   return  <code>QMCKL_SUCCESS</code>   or
 </div>
 
 <ol class="org-ol">
-<li><a id="orgaafc339"></a><code>qmckl_context_update_precision</code><br />
+<li><a id="org931d529"></a><code>qmckl_context_update_precision</code><br />
 <div class="outline-text-5" id="text-2-3-3-1">
 <p>
 Modifies the parameter for the numerical precision in a given context.
@@ -1602,7 +1608,7 @@ Modifies the parameter for the numerical precision in a given context.
 </div>
 
 <ol class="org-ol">
-<li><a id="orgce4f4a5"></a>Source<br />
+<li><a id="orgdddbfb5"></a>Source<br />
 <div class="outline-text-6" id="text-2-3-3-1-1">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">qmckl_exit_code</span> <span style="color: #0000ff;">qmckl_context_update_precision</span>(<span style="color: #a020f0;">const</span> <span style="color: #228b22;">qmckl_context</span> <span style="color: #a0522d;">context</span>, <span style="color: #a020f0;">const</span> <span style="color: #228b22;">int</span> <span style="color: #a0522d;">precision</span>) {
@@ -1621,7 +1627,7 @@ Modifies the parameter for the numerical precision in a given context.
 </div>
 </li>
 
-<li><a id="org477fc8f"></a>Fortran interface<br />
+<li><a id="org05e8ba0"></a>Fortran interface<br />
 <div class="outline-text-6" id="text-2-3-3-1-2">
 <div class="org-src-container">
 <pre class="src src-f90"><span style="color: #a020f0;">interface</span>
@@ -1637,7 +1643,7 @@ Modifies the parameter for the numerical precision in a given context.
 </li>
 </ol>
 </li>
-<li><a id="orgd1a737a"></a><code>qmckl_context_update_range</code><br />
+<li><a id="org17bf1b7"></a><code>qmckl_context_update_range</code><br />
 <div class="outline-text-5" id="text-2-3-3-2">
 <p>
 Modifies the parameter for the numerical range in a given context.
@@ -1649,7 +1655,7 @@ Modifies the parameter for the numerical range in a given context.
 </div>
 
 <ol class="org-ol">
-<li><a id="orgf142970"></a>Source<br />
+<li><a id="org0fa958f"></a>Source<br />
 <div class="outline-text-6" id="text-2-3-3-2-1">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">qmckl_exit_code</span> <span style="color: #0000ff;">qmckl_context_update_range</span>(<span style="color: #a020f0;">const</span> <span style="color: #228b22;">qmckl_context</span> <span style="color: #a0522d;">context</span>, <span style="color: #a020f0;">const</span> <span style="color: #228b22;">int</span> <span style="color: #a0522d;">range</span>) {
@@ -1668,7 +1674,7 @@ Modifies the parameter for the numerical range in a given context.
 </div>
 </li>
 
-<li><a id="org7794173"></a>Fortran interface<br />
+<li><a id="orgca10a74"></a>Fortran interface<br />
 <div class="outline-text-6" id="text-2-3-3-2-2">
 <div class="org-src-container">
 <pre class="src src-f90"><span style="color: #a020f0;">interface</span>
@@ -1684,7 +1690,7 @@ Modifies the parameter for the numerical range in a given context.
 </li>
 </ol>
 </li>
-<li><a id="orge53dee8"></a><code>qmckl_context_set_precision</code><br />
+<li><a id="orgdf9f2e5"></a><code>qmckl_context_set_precision</code><br />
 <div class="outline-text-5" id="text-2-3-3-3">
 <p>
 Returns a copy of the context with a different precision parameter.
@@ -1696,7 +1702,7 @@ Returns a copy of the context with a different precision parameter.
 </div>
 
 <ol class="org-ol">
-<li><a id="org228a236"></a>Source<br />
+<li><a id="org073d783"></a>Source<br />
 <div class="outline-text-6" id="text-2-3-3-3-1">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">qmckl_context</span> <span style="color: #0000ff;">qmckl_context_set_precision</span>(<span style="color: #a020f0;">const</span> <span style="color: #228b22;">qmckl_context</span> <span style="color: #a0522d;">context</span>, <span style="color: #a020f0;">const</span> <span style="color: #228b22;">int</span> <span style="color: #a0522d;">precision</span>) {
@@ -1712,7 +1718,7 @@ Returns a copy of the context with a different precision parameter.
 </div>
 </li>
 
-<li><a id="org0ba6a33"></a>Fortran interface<br />
+<li><a id="orgba2a2d6"></a>Fortran interface<br />
 <div class="outline-text-6" id="text-2-3-3-3-2">
 <div class="org-src-container">
 <pre class="src src-f90"><span style="color: #a020f0;">interface</span>
@@ -1728,7 +1734,7 @@ Returns a copy of the context with a different precision parameter.
 </li>
 </ol>
 </li>
-<li><a id="org6a8d510"></a><code>qmckl_context_set_range</code><br />
+<li><a id="org9675601"></a><code>qmckl_context_set_range</code><br />
 <div class="outline-text-5" id="text-2-3-3-4">
 <p>
 Returns a copy of the context with a different precision parameter.
@@ -1740,7 +1746,7 @@ Returns a copy of the context with a different precision parameter.
 </div>
 
 <ol class="org-ol">
-<li><a id="orgd4759db"></a>Source<br />
+<li><a id="org3796bbf"></a>Source<br />
 <div class="outline-text-6" id="text-2-3-3-4-1">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">qmckl_context</span> <span style="color: #0000ff;">qmckl_context_set_range</span>(<span style="color: #a020f0;">const</span> <span style="color: #228b22;">qmckl_context</span> <span style="color: #a0522d;">context</span>, <span style="color: #a020f0;">const</span> <span style="color: #228b22;">int</span> <span style="color: #a0522d;">range</span>) {
@@ -1756,7 +1762,7 @@ Returns a copy of the context with a different precision parameter.
 </div>
 </li>
 
-<li><a id="orgafefb72"></a>Fortran interface<br />
+<li><a id="org2f5dda8"></a>Fortran interface<br />
 <div class="outline-text-6" id="text-2-3-3-4-2">
 <div class="org-src-container">
 <pre class="src src-f90"><span style="color: #a020f0;">interface</span>
@@ -1773,7 +1779,7 @@ Returns a copy of the context with a different precision parameter.
 </ol>
 </li>
 
-<li><a id="orgdce3c96"></a><code>qmckl_context_get_precision</code><br />
+<li><a id="orgb2f9fb6"></a><code>qmckl_context_get_precision</code><br />
 <div class="outline-text-5" id="text-2-3-3-5">
 <p>
 Returns the value of the numerical precision in the context
@@ -1785,7 +1791,7 @@ Returns the value of the numerical precision in the context
 </div>
 
 <ol class="org-ol">
-<li><a id="org23de896"></a>Source<br />
+<li><a id="orgc1ce9d6"></a>Source<br />
 <div class="outline-text-6" id="text-2-3-3-5-1">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">int</span> <span style="color: #0000ff;">qmckl_context_get_precision</span>(<span style="color: #a020f0;">const</span> <span style="color: #228b22;">qmckl_context</span> <span style="color: #a0522d;">context</span>) {
@@ -1797,7 +1803,7 @@ Returns the value of the numerical precision in the context
 </div>
 </li>
 
-<li><a id="org1e4512c"></a>Fortran interface<br />
+<li><a id="orgae083be"></a>Fortran interface<br />
 <div class="outline-text-6" id="text-2-3-3-5-2">
 <div class="org-src-container">
 <pre class="src src-f90"><span style="color: #a020f0;">interface</span>
@@ -1812,7 +1818,7 @@ Returns the value of the numerical precision in the context
 </li>
 </ol>
 </li>
-<li><a id="orgfba719e"></a><code>qmckl_context_get_range</code><br />
+<li><a id="orgabec8a4"></a><code>qmckl_context_get_range</code><br />
 <div class="outline-text-5" id="text-2-3-3-6">
 <p>
 Returns the value of the numerical range in the context
@@ -1824,7 +1830,7 @@ Returns the value of the numerical range in the context
 </div>
 
 <ol class="org-ol">
-<li><a id="org81d6185"></a>Source<br />
+<li><a id="orgc38a64d"></a>Source<br />
 <div class="outline-text-6" id="text-2-3-3-6-1">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">int</span> <span style="color: #0000ff;">qmckl_context_get_range</span>(<span style="color: #a020f0;">const</span> <span style="color: #228b22;">qmckl_context</span> <span style="color: #a0522d;">context</span>) {
@@ -1836,7 +1842,7 @@ Returns the value of the numerical range in the context
 </div>
 </li>
 
-<li><a id="orgf807c64"></a>Fortran interface<br />
+<li><a id="orga8de72f"></a>Fortran interface<br />
 <div class="outline-text-6" id="text-2-3-3-6-2">
 <div class="org-src-container">
 <pre class="src src-f90"><span style="color: #a020f0;">interface</span>
@@ -1852,7 +1858,7 @@ Returns the value of the numerical range in the context
 </ol>
 </li>
 
-<li><a id="orgc1e3973"></a><code>qmckl_context_get_epsilon</code><br />
+<li><a id="orgaec57a3"></a><code>qmckl_context_get_epsilon</code><br />
 <div class="outline-text-5" id="text-2-3-3-7">
 <p>
 Returns \(\epsilon = 2^{1-n}\) where <code>n</code> is the precision
@@ -1864,7 +1870,7 @@ Returns \(\epsilon = 2^{1-n}\) where <code>n</code> is the precision
 </div>
 
 <ol class="org-ol">
-<li><a id="org8b4937e"></a>Source<br />
+<li><a id="org9ee7432"></a>Source<br />
 <div class="outline-text-6" id="text-2-3-3-7-1">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">double</span> <span style="color: #0000ff;">qmckl_context_get_epsilon</span>(<span style="color: #a020f0;">const</span> <span style="color: #228b22;">qmckl_context</span> <span style="color: #a0522d;">context</span>) {
@@ -1876,7 +1882,7 @@ Returns \(\epsilon = 2^{1-n}\) where <code>n</code> is the precision
 </div>
 </li>
 
-<li><a id="org2264bee"></a>Fortran interface<br />
+<li><a id="org9493397"></a>Fortran interface<br />
 <div class="outline-text-6" id="text-2-3-3-7-2">
 <div class="org-src-container">
 <pre class="src src-f90"><span style="color: #a020f0;">interface</span>
@@ -1894,8 +1900,8 @@ Returns \(\epsilon = 2^{1-n}\) where <code>n</code> is the precision
 </ol>
 </div>
 </div>
-<div id="outline-container-orgad73734" class="outline-3">
-<h3 id="orgad73734"><span class="section-number-3">2.4</span> Computation of distances</h3>
+<div id="outline-container-orga3e42f5" class="outline-3">
+<h3 id="orga3e42f5"><span class="section-number-3">2.4</span> Computation of distances</h3>
 <div class="outline-text-3" id="text-2-4">
 <p>
 Function for the computation of distances between particles.
@@ -1911,12 +1917,12 @@ Function for the computation of distances between particles.
 </ul>
 </div>
 
-<div id="outline-container-orgd5cdfbc" class="outline-4">
-<h4 id="orgd5cdfbc"><span class="section-number-4">2.4.1</span> Squared distance</h4>
+<div id="outline-container-orgcab1734" class="outline-4">
+<h4 id="orgcab1734"><span class="section-number-4">2.4.1</span> Squared distance</h4>
 <div class="outline-text-4" id="text-2-4-1">
 </div>
 <ol class="org-ol">
-<li><a id="org1ed02e2"></a><code>qmckl_distance_sq</code><br />
+<li><a id="org2945678"></a><code>qmckl_distance_sq</code><br />
 <div class="outline-text-5" id="text-2-4-1-1">
 <p>
 Computes the matrix of the squared distances between all pairs of
@@ -1928,7 +1934,7 @@ points in two sets, one point within each set:
 </div>
 
 <ol class="org-ol">
-<li><a id="orga2a8856"></a>Arguments<br />
+<li><a id="orga756bfd"></a>Arguments<br />
 <div class="outline-text-6" id="text-2-4-1-1-1">
 <table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
 
@@ -2011,7 +2017,7 @@ points in two sets, one point within each set:
 </div>
 </li>
 
-<li><a id="org8fc9e2b"></a>Requirements<br />
+<li><a id="org36f2947"></a>Requirements<br />
 <div class="outline-text-6" id="text-2-4-1-1-2">
 <ul class="org-ul">
 <li><code>context</code> is not 0</li>
@@ -2029,7 +2035,7 @@ points in two sets, one point within each set:
 </div>
 </li>
 
-<li><a id="orgc5ee542"></a>Performance<br />
+<li><a id="orgfd638fe"></a>Performance<br />
 <div class="outline-text-6" id="text-2-4-1-1-3">
 <p>
 This function might be more efficient when <code>A</code> and <code>B</code> are
@@ -2048,7 +2054,7 @@ transposed.
 </div>
 </li>
 
-<li><a id="orgea1c816"></a>Source<br />
+<li><a id="org3cbdca8"></a>Source<br />
 <div class="outline-text-6" id="text-2-4-1-1-4">
 <div class="org-src-container">
 <pre class="src src-f90"><span style="color: #228b22;">integer </span><span style="color: #a020f0;">function</span><span style="color: #a0522d;"> </span><span style="color: #0000ff;">qmckl_distance_sq_f</span><span style="color: #000000; background-color: #ffffff;">(context, transa, transb, m, n, A, LDA, B, LDB, C, LDC) result(info)</span>
@@ -2184,8 +2190,8 @@ transposed.
 </ol>
 </div>
 </div>
-<div id="outline-container-orgb9a20be" class="outline-3">
-<h3 id="orgb9a20be"><span class="section-number-3">2.5</span> Atomic Orbitals</h3>
+<div id="outline-container-org031a382" class="outline-3">
+<h3 id="org031a382"><span class="section-number-3">2.5</span> Atomic Orbitals</h3>
 <div class="outline-text-3" id="text-2-5">
 <p>
 This  files contains  all the  routines  for the  computation of  the
@@ -2202,8 +2208,8 @@ values, gradients and Laplacian of the atomic basis functions.
 </ul>
 </div>
 
-<div id="outline-container-orgdebe598" class="outline-4">
-<h4 id="orgdebe598"><span class="section-number-4">2.5.1</span> Polynomials</h4>
+<div id="outline-container-org8371761" class="outline-4">
+<h4 id="org8371761"><span class="section-number-4">2.5.1</span> Polynomials</h4>
 <div class="outline-text-4" id="text-2-5-1">
 <p>
 \[
@@ -2230,7 +2236,7 @@ values, gradients and Laplacian of the atomic basis functions.
 </div>
 
 <ol class="org-ol">
-<li><a id="orgfc57091"></a><code>qmckl_ao_power</code><br />
+<li><a id="org241ea72"></a><code>qmckl_ao_power</code><br />
 <div class="outline-text-5" id="text-2-5-1-1">
 <p>
 Computes all  the powers of  the <code>n</code> input  data up to  the given
@@ -2243,7 +2249,7 @@ maximum value given in input for each of the \(n\) points:
 </div>
 
 <ol class="org-ol">
-<li><a id="org5e4a5aa"></a>Arguments<br />
+<li><a id="org378ed91"></a>Arguments<br />
 <div class="outline-text-6" id="text-2-5-1-1-1">
 <table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
 
@@ -2296,7 +2302,7 @@ maximum value given in input for each of the \(n\) points:
 </div>
 </li>
 
-<li><a id="orgf244933"></a>Requirements<br />
+<li><a id="org10cd8ef"></a>Requirements<br />
 <div class="outline-text-6" id="text-2-5-1-1-2">
 <ul class="org-ul">
 <li><code>context</code> is not 0</li>
@@ -2309,7 +2315,7 @@ maximum value given in input for each of the \(n\) points:
 </div>
 </li>
 
-<li><a id="org3a57db7"></a>Header<br />
+<li><a id="org2448618"></a>Header<br />
 <div class="outline-text-6" id="text-2-5-1-1-3">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">qmckl_exit_code</span> <span style="color: #0000ff;">qmckl_ao_power</span>(<span style="color: #a020f0;">const</span> <span style="color: #228b22;">qmckl_context</span> <span style="color: #a0522d;">context</span>,
@@ -2321,7 +2327,7 @@ maximum value given in input for each of the \(n\) points:
 </div>
 </li>
 
-<li><a id="org3033b68"></a>Source<br />
+<li><a id="org91eb46a"></a>Source<br />
 <div class="outline-text-6" id="text-2-5-1-1-4">
 <div class="org-src-container">
 <pre class="src src-f90"><span style="color: #228b22;">integer </span><span style="color: #a020f0;">function</span><span style="color: #a0522d;"> </span><span style="color: #0000ff;">qmckl_ao_power_f</span><span style="color: #000000; background-color: #ffffff;">(context, n, X, LMAX, P, ldp) result(info)</span>
@@ -2363,7 +2369,7 @@ maximum value given in input for each of the \(n\) points:
 </li>
 
 
-<li><a id="org173d857"></a><code>qmckl_ao_polynomial_vgl</code><br />
+<li><a id="org5b60793"></a><code>qmckl_ao_polynomial_vgl</code><br />
 <div class="outline-text-5" id="text-2-5-1-2">
 <p>
 Computes the values, gradients and Laplacians at a given point of
@@ -2372,7 +2378,7 @@ all polynomials with an angular momentum up to <code>lmax</code>.
 </div>
 
 <ol class="org-ol">
-<li><a id="orgb6cbdb8"></a>Arguments<br />
+<li><a id="org4f2dc8b"></a>Arguments<br />
 <div class="outline-text-6" id="text-2-5-1-2-1">
 <table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
 
@@ -2443,7 +2449,7 @@ all polynomials with an angular momentum up to <code>lmax</code>.
 </div>
 </li>
 
-<li><a id="org25fb4d1"></a>Requirements<br />
+<li><a id="org7fd5a2b"></a>Requirements<br />
 <div class="outline-text-6" id="text-2-5-1-2-2">
 <ul class="org-ul">
 <li><code>context</code> is not 0</li>
@@ -2468,7 +2474,7 @@ For example, with a=0, b=2 and c=1 the string is "yyz"</li>
 </div>
 </li>
 
-<li><a id="org980472b"></a>Error codes<br />
+<li><a id="orgbc83356"></a>Error codes<br />
 <div class="outline-text-6" id="text-2-5-1-2-3">
 <table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
 
@@ -2503,7 +2509,7 @@ For example, with a=0, b=2 and c=1 the string is "yyz"</li>
 </div>
 </li>
 
-<li><a id="orgcedc47d"></a>Header<br />
+<li><a id="org9c9875e"></a>Header<br />
 <div class="outline-text-6" id="text-2-5-1-2-4">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">qmckl_exit_code</span> <span style="color: #0000ff;">qmckl_ao_polynomial_vgl</span>(<span style="color: #a020f0;">const</span> <span style="color: #228b22;">qmckl_context</span> <span style="color: #a0522d;">context</span>,
@@ -2516,7 +2522,7 @@ For example, with a=0, b=2 and c=1 the string is "yyz"</li>
 </div>
 </li>
 
-<li><a id="org81a6f80"></a>Source<br />
+<li><a id="orgcc63e8f"></a>Source<br />
 <div class="outline-text-6" id="text-2-5-1-2-5">
 <div class="org-src-container">
 <pre class="src src-f90"><span style="color: #228b22;">integer </span><span style="color: #a020f0;">function</span><span style="color: #a0522d;"> </span><span style="color: #0000ff;">qmckl_ao_polynomial_vgl_f</span><span style="color: #000000; background-color: #ffffff;">(context, X, R, lmax, n, L, ldl, VGL, ldv) result(info)</span>
@@ -2654,12 +2660,12 @@ For example, with a=0, b=2 and c=1 the string is "yyz"</li>
 </ol>
 </div>
 
-<div id="outline-container-orgcac1a08" class="outline-4">
-<h4 id="orgcac1a08"><span class="section-number-4">2.5.2</span> Gaussian basis functions</h4>
+<div id="outline-container-org859d9a6" class="outline-4">
+<h4 id="org859d9a6"><span class="section-number-4">2.5.2</span> Gaussian basis functions</h4>
 <div class="outline-text-4" id="text-2-5-2">
 </div>
 <ol class="org-ol">
-<li><a id="org3d9c430"></a><code>qmckl_ao_gaussian_vgl</code><br />
+<li><a id="orgd8c71e4"></a><code>qmckl_ao_gaussian_vgl</code><br />
 <div class="outline-text-5" id="text-2-5-2-1">
 <p>
 Computes the values, gradients and Laplacians at a given point of
@@ -2676,7 +2682,7 @@ Computes the values, gradients and Laplacians at a given point of
 </div>
 
 <ol class="org-ol">
-<li><a id="org60f6f3d"></a>Arguments<br />
+<li><a id="orga0de829"></a>Arguments<br />
 <div class="outline-text-6" id="text-2-5-2-1-1">
 <table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
 
@@ -2735,7 +2741,7 @@ Computes the values, gradients and Laplacians at a given point of
 </div>
 </li>
 
-<li><a id="org9ed916b"></a>Requirements<br />
+<li><a id="orge2f3715"></a>Requirements<br />
 <div class="outline-text-6" id="text-2-5-2-1-2">
 <ul class="org-ul">
 <li><code>context</code> is not 0</li>
@@ -2750,7 +2756,7 @@ Computes the values, gradients and Laplacians at a given point of
 </div>
 </li>
 
-<li><a id="orgfd4f170"></a>Header<br />
+<li><a id="org125eaac"></a>Header<br />
 <div class="outline-text-6" id="text-2-5-2-1-3">
 <div class="org-src-container">
 <pre class="src src-C"><span style="color: #228b22;">qmckl_exit_code</span> <span style="color: #0000ff;">qmckl_ao_gaussian_vgl</span>(<span style="color: #a020f0;">const</span> <span style="color: #228b22;">qmckl_context</span> <span style="color: #a0522d;">context</span>,
@@ -2762,7 +2768,7 @@ Computes the values, gradients and Laplacians at a given point of
 </div>
 </li>
 
-<li><a id="org3fa72d4"></a>Source<br />
+<li><a id="org846db81"></a>Source<br />
 <div class="outline-text-6" id="text-2-5-2-1-4">
 <div class="org-src-container">
 <pre class="src src-f90"><span style="color: #228b22;">integer </span><span style="color: #a020f0;">function</span><span style="color: #a0522d;"> </span><span style="color: #0000ff;">qmckl_ao_gaussian_vgl_f</span><span style="color: #000000; background-color: #ffffff;">(context, X, R, n, A, VGL, ldv) result(info)</span>
@@ -2834,14 +2840,14 @@ Computes the values, gradients and Laplacians at a given point of
 </div>
 
 
-<div id="outline-container-orgbe95389" class="outline-4">
-<h4 id="orgbe95389"><span class="section-number-4">2.5.3</span> <span class="todo TODO">TODO</span> Slater basis functions</h4>
+<div id="outline-container-org00a5e37" class="outline-4">
+<h4 id="org00a5e37"><span class="section-number-4">2.5.3</span> <span class="todo TODO">TODO</span> Slater basis functions</h4>
 </div>
 </div>
 </div>
 
-<div id="outline-container-org041b82f" class="outline-2">
-<h2 id="org041b82f"><span class="section-number-2">3</span> Acknowledgments</h2>
+<div id="outline-container-org3732fa8" class="outline-2">
+<h2 id="org3732fa8"><span class="section-number-2">3</span> Acknowledgments</h2>
 <div class="outline-text-2" id="text-3">
 <p>
 <img src="https://trex-coe.eu/sites/default/files/inline-images/euflag.jpg" alt="euflag.jpg" />
@@ -2851,7 +2857,7 @@ Computes the values, gradients and Laplacians at a given point of
 </div>
 </div>
 <div id="postamble" class="status">
-<p class="date">Created: 2020-12-03 Thu 17:58</p>
+<p class="date">Created: 2020-12-03 Thu 18:00</p>
 <p class="validation"><a href="http://validator.w3.org/check?uri=referer">Validate</a></p>
 </div>
 </body>
