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<title>QMCkl source code documentation</title>
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</div>
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<div id="postamble" class="status">
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<p class="author">Author: TREX CoE</p>
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<p class="date">Created: 2021-03-19 Fri 18:00</p>
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<p class="date">Created: 2021-03-19 Fri 18:03</p>
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<p class="validation"><a href="http://validator.w3.org/check?uri=referer">Validate</a></p>
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</div>
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"http://www.w3.org/TR/xhtml1/DTD/xhtml1-strict.dtd">
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<html xmlns="http://www.w3.org/1999/xhtml" lang="en" xml:lang="en">
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<head>
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<!-- 2021-03-19 Fri 18:00 -->
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<meta http-equiv="Content-Type" content="text/html;charset=utf-8" />
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<meta name="viewport" content="width=device-width, initial-scale=1" />
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<title>QMCkl source code documentation</title>
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@ -348,7 +348,7 @@ and bug reports should be submitted at
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</div>
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<div id="postamble" class="status">
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<p class="author">Author: TREX CoE</p>
|
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<p class="date">Created: 2021-03-19 Fri 18:00</p>
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||||
<p class="date">Created: 2021-03-19 Fri 18:03</p>
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<p class="validation"><a href="http://validator.w3.org/check?uri=referer">Validate</a></p>
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</div>
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</body>
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102
qmckl.html
102
qmckl.html
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"http://www.w3.org/TR/xhtml1/DTD/xhtml1-strict.dtd">
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<html xmlns="http://www.w3.org/1999/xhtml" lang="en" xml:lang="en">
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<head>
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<!-- 2021-03-19 Fri 18:00 -->
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<!-- 2021-03-19 Fri 18:03 -->
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<meta http-equiv="Content-Type" content="text/html;charset=utf-8" />
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<meta name="viewport" content="width=device-width, initial-scale=1" />
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<title>Introduction</title>
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||||
@ -333,30 +333,30 @@ for the JavaScript code in this tag.
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<h2>Table of Contents</h2>
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<div id="text-table-of-contents">
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<ul>
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<li><a href="#org996b629">1. Using QMCkl</a></li>
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<li><a href="#orgc23932f">2. Developing in QMCkl</a>
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<li><a href="#orgf076a18">1. Using QMCkl</a></li>
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<li><a href="#orgb3cbaed">2. Developing in QMCkl</a>
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<ul>
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<li><a href="#org7fd8fd1">2.1. Literate programming</a></li>
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<li><a href="#orge22c666">2.2. Source code editing</a></li>
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<li><a href="#org3779332">2.3. Choice of the programming language</a></li>
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<li><a href="#org04801c7">2.4. Coding rules</a></li>
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<li><a href="#org205833f">2.5. Design of the library</a></li>
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<li><a href="#orgc47584c">2.6. Naming conventions</a></li>
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<li><a href="#orga8b00e3">2.7. Application programming interface</a></li>
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<li><a href="#orge614929">2.8. Global state</a></li>
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<li><a href="#org0b60987">2.9. Low-level functions</a></li>
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<li><a href="#orge548ec0">2.10. High-level functions</a></li>
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<li><a href="#org1ef7b83">2.11. Numerical precision</a></li>
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<li><a href="#org5e8d840">2.12. Algorithms</a></li>
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<li><a href="#orgedb632a">2.13. Rules for the API</a></li>
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<li><a href="#orgdb1bebe">2.1. Literate programming</a></li>
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<li><a href="#org9725241">2.2. Source code editing</a></li>
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<li><a href="#org390cf43">2.3. Choice of the programming language</a></li>
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||||
<li><a href="#orgc24720d">2.4. Coding rules</a></li>
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<li><a href="#orgc534e27">2.5. Design of the library</a></li>
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<li><a href="#org34743b0">2.6. Naming conventions</a></li>
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||||
<li><a href="#orga35db07">2.7. Application programming interface</a></li>
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<li><a href="#orgead2504">2.8. Global state</a></li>
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<li><a href="#orga6f824f">2.9. Low-level functions</a></li>
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<li><a href="#org18ec333">2.10. High-level functions</a></li>
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<li><a href="#org1e3a80c">2.11. Numerical precision</a></li>
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||||
<li><a href="#org6de29cd">2.12. Algorithms</a></li>
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<li><a href="#orgf03115b">2.13. Rules for the API</a></li>
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</ul>
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</li>
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</ul>
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</div>
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</div>
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<div id="outline-container-org996b629" class="outline-2">
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<h2 id="org996b629"><span class="section-number-2">1</span> Using QMCkl</h2>
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||||
<div id="outline-container-orgf076a18" class="outline-2">
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||||
<h2 id="orgf076a18"><span class="section-number-2">1</span> Using QMCkl</h2>
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<div class="outline-text-2" id="text-1">
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<p>
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The <code>qmckl.h</code> header file has to be included in C codes when
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@ -385,12 +385,12 @@ Both files are located in the <code>include/</code> directory.
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</div>
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</div>
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<div id="outline-container-orgc23932f" class="outline-2">
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<h2 id="orgc23932f"><span class="section-number-2">2</span> Developing in QMCkl</h2>
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<div id="outline-container-orgb3cbaed" class="outline-2">
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<h2 id="orgb3cbaed"><span class="section-number-2">2</span> Developing in QMCkl</h2>
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<div class="outline-text-2" id="text-2">
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||||
</div>
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||||
<div id="outline-container-org7fd8fd1" class="outline-3">
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<h3 id="org7fd8fd1"><span class="section-number-3">2.1</span> Literate programming</h3>
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<div id="outline-container-orgdb1bebe" class="outline-3">
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<h3 id="orgdb1bebe"><span class="section-number-3">2.1</span> Literate programming</h3>
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<div class="outline-text-3" id="text-2-1">
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<p>
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In a traditional source code, most of the lines of source files of a program
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@ -436,8 +436,8 @@ interactively, in the same spirit as Jupyter notebooks.
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</div>
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<div id="outline-container-orge22c666" class="outline-3">
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<h3 id="orge22c666"><span class="section-number-3">2.2</span> Source code editing</h3>
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<div id="outline-container-org9725241" class="outline-3">
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<h3 id="org9725241"><span class="section-number-3">2.2</span> Source code editing</h3>
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<div class="outline-text-3" id="text-2-2">
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<p>
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For a tutorial on literate programming with org-mode, follow <a href="http://www.howardism.org/Technical/Emacs/literate-programming-tutorial.html">this link</a>.
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@ -469,8 +469,8 @@ org-mode.
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||||
</div>
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||||
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<div id="outline-container-org3779332" class="outline-3">
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<h3 id="org3779332"><span class="section-number-3">2.3</span> Choice of the programming language</h3>
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<div id="outline-container-org390cf43" class="outline-3">
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||||
<h3 id="org390cf43"><span class="section-number-3">2.3</span> Choice of the programming language</h3>
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||||
<div class="outline-text-3" id="text-2-3">
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||||
<p>
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||||
Most of the codes of the <a href="https://trex-coe.eu">TREX CoE</a> are written in Fortran with some scripts in
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@ -518,8 +518,8 @@ For more guidelines on using Fortran to generate a C interface, see
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</div>
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</div>
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||||
<div id="outline-container-org04801c7" class="outline-3">
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||||
<h3 id="org04801c7"><span class="section-number-3">2.4</span> Coding rules</h3>
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||||
<div id="outline-container-orgc24720d" class="outline-3">
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<h3 id="orgc24720d"><span class="section-number-3">2.4</span> Coding rules</h3>
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<div class="outline-text-3" id="text-2-4">
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||||
<p>
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||||
The authors should follow the recommendations of the
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@ -535,8 +535,8 @@ freed</li>
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||||
</div>
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<div id="outline-container-org205833f" class="outline-3">
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<h3 id="org205833f"><span class="section-number-3">2.5</span> Design of the library</h3>
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<div id="outline-container-orgc534e27" class="outline-3">
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||||
<h3 id="orgc534e27"><span class="section-number-3">2.5</span> Design of the library</h3>
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||||
<div class="outline-text-3" id="text-2-5">
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<p>
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The proposed API should allow the library to: deal with memory transfers
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@ -547,8 +547,8 @@ functions (see below).
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</div>
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</div>
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<div id="outline-container-orgc47584c" class="outline-3">
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<h3 id="orgc47584c"><span class="section-number-3">2.6</span> Naming conventions</h3>
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<div id="outline-container-org34743b0" class="outline-3">
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<h3 id="org34743b0"><span class="section-number-3">2.6</span> Naming conventions</h3>
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<div class="outline-text-3" id="text-2-6">
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||||
<p>
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||||
To avoid namespace collisions, we use <code>qmckl_</code> as a prefix for all exported
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@ -573,8 +573,8 @@ form is allowed.
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</div>
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</div>
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||||
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<div id="outline-container-orga8b00e3" class="outline-3">
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||||
<h3 id="orga8b00e3"><span class="section-number-3">2.7</span> Application programming interface</h3>
|
||||
<div id="outline-container-orga35db07" class="outline-3">
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||||
<h3 id="orga35db07"><span class="section-number-3">2.7</span> Application programming interface</h3>
|
||||
<div class="outline-text-3" id="text-2-7">
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||||
<p>
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||||
In the C language, the number of bits used by the integer types can change
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@ -607,15 +607,15 @@ bindings in other languages in other repositories.
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</div>
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</div>
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<div id="outline-container-orge614929" class="outline-3">
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<h3 id="orge614929"><span class="section-number-3">2.8</span> Global state</h3>
|
||||
<div id="outline-container-orgead2504" class="outline-3">
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||||
<h3 id="orgead2504"><span class="section-number-3">2.8</span> Global state</h3>
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||||
<div class="outline-text-3" id="text-2-8">
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||||
<p>
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||||
Global variables should be avoided in the library, because it is
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||||
possible that one single program needs to use multiple instances
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||||
of the library. To solve this problem we propose to use a pointer
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||||
to a <a href="./qmckl_context.html"><code>context</code></a> variable, built by the library with the
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||||
<code>qmckl_context_create</code> function. The <a id="orga1092df">=context=</a> contains the global
|
||||
<code>qmckl_context_create</code> function. The <a id="orgb60fb0a">=context=</a> contains the global
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||||
state of the library, and is used as the first argument of many
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||||
QMCkl functions.
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||||
</p>
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||||
@ -635,8 +635,8 @@ versions can be destroyed with <code>qmckl_context_destroy</code>.
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</div>
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</div>
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<div id="outline-container-org0b60987" class="outline-3">
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<h3 id="org0b60987"><span class="section-number-3">2.9</span> Low-level functions</h3>
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<div id="outline-container-orga6f824f" class="outline-3">
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||||
<h3 id="orga6f824f"><span class="section-number-3">2.9</span> Low-level functions</h3>
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<div class="outline-text-3" id="text-2-9">
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<p>
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Low-level functions are very simple functions which are leaves of
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@ -645,14 +645,14 @@ the function call tree (they don't call any other QMCkl function).
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<p>
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These functions are <i>pure</i>, and unaware of the QMCkl
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<a href="#orga1092df"><code>context</code></a>. They are not allowed to allocate/deallocate memory, and
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||||
<a href="#orgb60fb0a"><code>context</code></a>. They are not allowed to allocate/deallocate memory, and
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||||
if they need temporary memory it should be provided in input.
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||||
</p>
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||||
</div>
|
||||
</div>
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||||
|
||||
<div id="outline-container-orge548ec0" class="outline-3">
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||||
<h3 id="orge548ec0"><span class="section-number-3">2.10</span> High-level functions</h3>
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||||
<div id="outline-container-org18ec333" class="outline-3">
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||||
<h3 id="org18ec333"><span class="section-number-3">2.10</span> High-level functions</h3>
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<div class="outline-text-3" id="text-2-10">
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||||
<p>
|
||||
High-level functions are at the top of the function call tree.
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@ -665,27 +665,27 @@ temporary storage, to simplify the use of accelerators.
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||||
<p>
|
||||
The high-level functions should be pure, unless the introduction
|
||||
of non-purity is justified. All the side effects should be made in
|
||||
the <a href="#orga1092df"><code>context</code></a> variable.
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||||
the <a href="#orgb60fb0a"><code>context</code></a> variable.
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||||
</p>
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||||
</div>
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||||
</div>
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||||
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||||
<div id="outline-container-org1ef7b83" class="outline-3">
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||||
<h3 id="org1ef7b83"><span class="section-number-3">2.11</span> Numerical precision</h3>
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||||
<div id="outline-container-org1e3a80c" class="outline-3">
|
||||
<h3 id="org1e3a80c"><span class="section-number-3">2.11</span> Numerical precision</h3>
|
||||
<div class="outline-text-3" id="text-2-11">
|
||||
<p>
|
||||
The number of bits of precision required for a function should be
|
||||
given as an input of low-level computational functions. This input
|
||||
will be used to define the values of the different thresholds that
|
||||
might be used to avoid computing unnecessary noise. High-level
|
||||
functions will use the precision specified in the <a href="#orga1092df"><code>context</code></a>
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||||
functions will use the precision specified in the <a href="#orgb60fb0a"><code>context</code></a>
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||||
variable.
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||||
</p>
|
||||
</div>
|
||||
</div>
|
||||
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||||
<div id="outline-container-org5e8d840" class="outline-3">
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||||
<h3 id="org5e8d840"><span class="section-number-3">2.12</span> Algorithms</h3>
|
||||
<div id="outline-container-org6de29cd" class="outline-3">
|
||||
<h3 id="org6de29cd"><span class="section-number-3">2.12</span> Algorithms</h3>
|
||||
<div class="outline-text-3" id="text-2-12">
|
||||
<p>
|
||||
Reducing the scaling of an algorithm usually implies also reducing
|
||||
@ -698,8 +698,8 @@ implemented adapted to different problem sizes.
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-orgedb632a" class="outline-3">
|
||||
<h3 id="orgedb632a"><span class="section-number-3">2.13</span> Rules for the API</h3>
|
||||
<div id="outline-container-orgf03115b" class="outline-3">
|
||||
<h3 id="orgf03115b"><span class="section-number-3">2.13</span> Rules for the API</h3>
|
||||
<div class="outline-text-3" id="text-2-13">
|
||||
<ul class="org-ul">
|
||||
<li><code>stdint</code> should be used for integers (<code>int32_t</code>, <code>int64_t</code>)</li>
|
||||
@ -713,7 +713,7 @@ implemented adapted to different problem sizes.
|
||||
</div>
|
||||
<div id="postamble" class="status">
|
||||
<p class="author">Author: TREX CoE</p>
|
||||
<p class="date">Created: 2021-03-19 Fri 18:00</p>
|
||||
<p class="date">Created: 2021-03-19 Fri 18:03</p>
|
||||
<p class="validation"><a href="http://validator.w3.org/check?uri=referer">Validate</a></p>
|
||||
</div>
|
||||
</body>
|
||||
|
||||
@ -3,7 +3,7 @@
|
||||
"http://www.w3.org/TR/xhtml1/DTD/xhtml1-strict.dtd">
|
||||
<html xmlns="http://www.w3.org/1999/xhtml" lang="en" xml:lang="en">
|
||||
<head>
|
||||
<!-- 2021-03-19 Fri 18:00 -->
|
||||
<!-- 2021-03-19 Fri 18:03 -->
|
||||
<meta http-equiv="Content-Type" content="text/html;charset=utf-8" />
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1" />
|
||||
<title>Atomic Orbitals</title>
|
||||
@ -333,14 +333,14 @@ for the JavaScript code in this tag.
|
||||
<h2>Table of Contents</h2>
|
||||
<div id="text-table-of-contents">
|
||||
<ul>
|
||||
<li><a href="#org50b798d">1. Polynomial part</a>
|
||||
<li><a href="#org0a14076">1. Polynomial part</a>
|
||||
<ul>
|
||||
<li><a href="#org6bd2b87">1.1. Powers of \(x-X_i\)</a></li>
|
||||
<li><a href="#orge644aeb">1.2. Value, Gradient and Laplacian of a polynomial</a></li>
|
||||
<li><a href="#orga6f8e2e">1.1. Powers of \(x-X_i\)</a></li>
|
||||
<li><a href="#orge537dac">1.2. Value, Gradient and Laplacian of a polynomial</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
<li><a href="#org4133ceb">2. Gaussian basis functions</a></li>
|
||||
<li><a href="#org720fd78">3. <span class="todo TODO">TODO</span> Slater basis functions</a></li>
|
||||
<li><a href="#org6374772">2. Gaussian basis functions</a></li>
|
||||
<li><a href="#org1f0c81f">3. <span class="todo TODO">TODO</span> Slater basis functions</a></li>
|
||||
</ul>
|
||||
</div>
|
||||
</div>
|
||||
@ -389,12 +389,12 @@ In this section we describe the kernels used to compute the values,
|
||||
gradients and Laplacian of the atomic basis functions.
|
||||
</p>
|
||||
|
||||
<div id="outline-container-org50b798d" class="outline-2">
|
||||
<h2 id="org50b798d"><span class="section-number-2">1</span> Polynomial part</h2>
|
||||
<div id="outline-container-org0a14076" class="outline-2">
|
||||
<h2 id="org0a14076"><span class="section-number-2">1</span> Polynomial part</h2>
|
||||
<div class="outline-text-2" id="text-1">
|
||||
</div>
|
||||
<div id="outline-container-org6bd2b87" class="outline-3">
|
||||
<h3 id="org6bd2b87"><span class="section-number-3">1.1</span> Powers of \(x-X_i\)</h3>
|
||||
<div id="outline-container-orga6f8e2e" class="outline-3">
|
||||
<h3 id="orga6f8e2e"><span class="section-number-3">1.1</span> Powers of \(x-X_i\)</h3>
|
||||
<div class="outline-text-3" id="text-1-1">
|
||||
<p>
|
||||
The <code>qmckl_ao_power</code> function computes all the powers of the <code>n</code>
|
||||
@ -574,8 +574,8 @@ Requirements:
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-orge644aeb" class="outline-3">
|
||||
<h3 id="orge644aeb"><span class="section-number-3">1.2</span> Value, Gradient and Laplacian of a polynomial</h3>
|
||||
<div id="outline-container-orge537dac" class="outline-3">
|
||||
<h3 id="orge537dac"><span class="section-number-3">1.2</span> Value, Gradient and Laplacian of a polynomial</h3>
|
||||
<div class="outline-text-3" id="text-1-2">
|
||||
<p>
|
||||
A polynomial is centered on a nucleus \(\mathbf{R}_i\)
|
||||
@ -960,8 +960,8 @@ munit_assert_int(0, ==, test_qmckl_ao_polynomial_vgl(context));
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-org4133ceb" class="outline-2">
|
||||
<h2 id="org4133ceb"><span class="section-number-2">2</span> Gaussian basis functions</h2>
|
||||
<div id="outline-container-org6374772" class="outline-2">
|
||||
<h2 id="org6374772"><span class="section-number-2">2</span> Gaussian basis functions</h2>
|
||||
<div class="outline-text-2" id="text-2">
|
||||
<p>
|
||||
<code>qmckl_ao_gaussian_vgl</code> computes the values, gradients and
|
||||
@ -1193,13 +1193,13 @@ Requirements :
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-org720fd78" class="outline-2">
|
||||
<h2 id="org720fd78"><span class="section-number-2">3</span> <span class="todo TODO">TODO</span> Slater basis functions</h2>
|
||||
<div id="outline-container-org1f0c81f" class="outline-2">
|
||||
<h2 id="org1f0c81f"><span class="section-number-2">3</span> <span class="todo TODO">TODO</span> Slater basis functions</h2>
|
||||
</div>
|
||||
</div>
|
||||
<div id="postamble" class="status">
|
||||
<p class="author">Author: TREX CoE</p>
|
||||
<p class="date">Created: 2021-03-19 Fri 18:00</p>
|
||||
<p class="date">Created: 2021-03-19 Fri 18:03</p>
|
||||
<p class="validation"><a href="http://validator.w3.org/check?uri=referer">Validate</a></p>
|
||||
</div>
|
||||
</body>
|
||||
|
||||
@ -3,7 +3,7 @@
|
||||
"http://www.w3.org/TR/xhtml1/DTD/xhtml1-strict.dtd">
|
||||
<html xmlns="http://www.w3.org/1999/xhtml" lang="en" xml:lang="en">
|
||||
<head>
|
||||
<!-- 2021-03-19 Fri 18:00 -->
|
||||
<!-- 2021-03-19 Fri 18:03 -->
|
||||
<meta http-equiv="Content-Type" content="text/html;charset=utf-8" />
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1" />
|
||||
<title>Context</title>
|
||||
@ -333,51 +333,51 @@ for the JavaScript code in this tag.
|
||||
<h2>Table of Contents</h2>
|
||||
<div id="text-table-of-contents">
|
||||
<ul>
|
||||
<li><a href="#org3636d47">1. Context handling</a>
|
||||
<li><a href="#orge8f7836">1. Context handling</a>
|
||||
<ul>
|
||||
<li><a href="#orga36459f">1.1. Data structure</a></li>
|
||||
<li><a href="#org091c9ee">1.2. Creation</a></li>
|
||||
<li><a href="#orgc802a04">1.3. Access to the previous context</a></li>
|
||||
<li><a href="#orgcfee158">1.4. Locking</a></li>
|
||||
<li><a href="#org5ee4e0f">1.5. Copy</a></li>
|
||||
<li><a href="#orgeb320b7">1.6. Destroy</a></li>
|
||||
<li><a href="#org87c0c33">1.1. Data structure</a></li>
|
||||
<li><a href="#org632f1ec">1.2. Creation</a></li>
|
||||
<li><a href="#org57be0d8">1.3. Access to the previous context</a></li>
|
||||
<li><a href="#org6a3ca5c">1.4. Locking</a></li>
|
||||
<li><a href="#org32fd6fc">1.5. Copy</a></li>
|
||||
<li><a href="#org020df21">1.6. Destroy</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
<li><a href="#orgdedf9e0">2. Memory allocation handling</a>
|
||||
<li><a href="#orgcc74eb6">2. Memory allocation handling</a>
|
||||
<ul>
|
||||
<li><a href="#org675d127">2.1. Data structure</a></li>
|
||||
<li><a href="#org2c18ce0">2.2. Append memory</a></li>
|
||||
<li><a href="#orga5aa506">2.3. Remove memory</a></li>
|
||||
<li><a href="#orgd070f1e">2.1. Data structure</a></li>
|
||||
<li><a href="#orgb6ec4e1">2.2. Append memory</a></li>
|
||||
<li><a href="#orgd992281">2.3. Remove memory</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
<li><a href="#orged3cfc8">3. Error handling</a>
|
||||
<li><a href="#org076c2f7">3. Error handling</a>
|
||||
<ul>
|
||||
<li><a href="#org0edd5da">3.1. Data structure</a></li>
|
||||
<li><a href="#org45075a0">3.2. Updating errors</a></li>
|
||||
<li><a href="#org7807473">3.1. Data structure</a></li>
|
||||
<li><a href="#org59da75c">3.2. Updating errors</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
<li><a href="#orgb1be843">4. Control of the numerical precision</a>
|
||||
<li><a href="#org6cb7aff">4. Control of the numerical precision</a>
|
||||
<ul>
|
||||
<li><a href="#org4a7b799">4.1. Precision</a></li>
|
||||
<li><a href="#orgd110711">4.2. Range</a></li>
|
||||
<li><a href="#org452383c">4.3. Helper functions</a></li>
|
||||
<li><a href="#orgbc01c6d">4.1. Precision</a></li>
|
||||
<li><a href="#orgea557dd">4.2. Range</a></li>
|
||||
<li><a href="#orgf49558d">4.3. Helper functions</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
<li><a href="#orgeff3669">5. <span class="todo TODO">TODO</span> Basis set</a>
|
||||
<li><a href="#orgc32045d">5. <span class="todo TODO">TODO</span> Basis set</a>
|
||||
<ul>
|
||||
<li><a href="#org63b5188">5.1. Data structure</a></li>
|
||||
<li><a href="#orgffe8446">5.2. <code>qmckl_context_update_ao_basis</code></a>
|
||||
<li><a href="#org143326d">5.1. Data structure</a></li>
|
||||
<li><a href="#org9f6f074">5.2. <code>qmckl_context_update_ao_basis</code></a>
|
||||
<ul>
|
||||
<li><a href="#orgacd18ae">5.2.1. Source</a></li>
|
||||
<li><a href="#org0287828">5.2.2. Fortran interface</a></li>
|
||||
<li><a href="#orgfb590d1">5.2.3. <span class="todo TODO">TODO</span> Test</a></li>
|
||||
<li><a href="#org6f3e1b9">5.2.1. Source</a></li>
|
||||
<li><a href="#org42cc245">5.2.2. Fortran interface</a></li>
|
||||
<li><a href="#org2fb9406">5.2.3. <span class="todo TODO">TODO</span> Test</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
<li><a href="#org826bc2c">5.3. <code>qmckl_context_set_ao_basis</code></a>
|
||||
<li><a href="#org521e053">5.3. <code>qmckl_context_set_ao_basis</code></a>
|
||||
<ul>
|
||||
<li><a href="#orgab01043">5.3.1. Source</a></li>
|
||||
<li><a href="#org8bd63de">5.3.2. Fortran interface</a></li>
|
||||
<li><a href="#org471b7e2">5.3.3. <span class="todo TODO">TODO</span> Test</a></li>
|
||||
<li><a href="#org6507ab3">5.3.1. Source</a></li>
|
||||
<li><a href="#orgbf8da73">5.3.2. Fortran interface</a></li>
|
||||
<li><a href="#org21985a2">5.3.3. <span class="todo TODO">TODO</span> Test</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
</ul>
|
||||
@ -401,8 +401,8 @@ A value of <code>QMCKL_NULL_CONTEXT</code> for the context is equivalent to a
|
||||
</pre>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-org3636d47" class="outline-2">
|
||||
<h2 id="org3636d47"><span class="section-number-2">1</span> Context handling</h2>
|
||||
<div id="outline-container-orge8f7836" class="outline-2">
|
||||
<h2 id="orge8f7836"><span class="section-number-2">1</span> Context handling</h2>
|
||||
<div class="outline-text-2" id="text-1">
|
||||
<p>
|
||||
The context appears as an immutable data structure: modifying a
|
||||
@ -419,8 +419,8 @@ and <code>ctx</code> is a <code>qmckl_context_struct*</code> pointer.
|
||||
</p>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-orga36459f" class="outline-3">
|
||||
<h3 id="orga36459f"><span class="section-number-3">1.1</span> Data structure</h3>
|
||||
<div id="outline-container-org87c0c33" class="outline-3">
|
||||
<h3 id="org87c0c33"><span class="section-number-3">1.1</span> Data structure</h3>
|
||||
<div class="outline-text-3" id="text-1-1">
|
||||
<p>
|
||||
The main data structure contains pointers to other data structures,
|
||||
@ -430,7 +430,7 @@ pointers.
|
||||
</p>
|
||||
|
||||
<div class="org-src-container">
|
||||
<pre class="src src-c" id="org85bbfd5"><span style="color: #a020f0;">typedef</span> <span style="color: #a020f0;">struct</span> <span style="color: #228b22;">qmckl_context_struct</span> {
|
||||
<pre class="src src-c" id="org8196d3b"><span style="color: #a020f0;">typedef</span> <span style="color: #a020f0;">struct</span> <span style="color: #228b22;">qmckl_context_struct</span> {
|
||||
|
||||
/* <span style="color: #b22222;">Pointer to the previous context, before modification </span>*/
|
||||
<span style="color: #a020f0;">struct</span> <span style="color: #228b22;">qmckl_context_struct</span> * <span style="color: #a0522d;">prev</span>;
|
||||
@ -510,8 +510,8 @@ if the context is valid, <code>QMCKL_NULL_CONTEXT</code> otherwise.
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-org091c9ee" class="outline-3">
|
||||
<h3 id="org091c9ee"><span class="section-number-3">1.2</span> Creation</h3>
|
||||
<div id="outline-container-org632f1ec" class="outline-3">
|
||||
<h3 id="org632f1ec"><span class="section-number-3">1.2</span> Creation</h3>
|
||||
<div class="outline-text-3" id="text-1-2">
|
||||
<p>
|
||||
To create a new context, <code>qmckl_context_create()</code> should be used.
|
||||
@ -563,8 +563,8 @@ To create a new context, <code>qmckl_context_create()</code> should be used.
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
<div id="outline-container-orgc802a04" class="outline-3">
|
||||
<h3 id="orgc802a04"><span class="section-number-3">1.3</span> Access to the previous context</h3>
|
||||
<div id="outline-container-org57be0d8" class="outline-3">
|
||||
<h3 id="org57be0d8"><span class="section-number-3">1.3</span> Access to the previous context</h3>
|
||||
<div class="outline-text-3" id="text-1-3">
|
||||
<p>
|
||||
<code>qmckl_context_previous</code> returns the previous context. It returns
|
||||
@ -586,8 +586,8 @@ To create a new context, <code>qmckl_context_create()</code> should be used.
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
<div id="outline-container-orgcfee158" class="outline-3">
|
||||
<h3 id="orgcfee158"><span class="section-number-3">1.4</span> Locking</h3>
|
||||
<div id="outline-container-org6a3ca5c" class="outline-3">
|
||||
<h3 id="org6a3ca5c"><span class="section-number-3">1.4</span> Locking</h3>
|
||||
<div class="outline-text-3" id="text-1-4">
|
||||
<p>
|
||||
For thread safety, the context may be locked/unlocked. The lock is
|
||||
@ -647,8 +647,8 @@ number of times the thread has locked it is saved in the
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-org5ee4e0f" class="outline-3">
|
||||
<h3 id="org5ee4e0f"><span class="section-number-3">1.5</span> Copy</h3>
|
||||
<div id="outline-container-org32fd6fc" class="outline-3">
|
||||
<h3 id="org32fd6fc"><span class="section-number-3">1.5</span> Copy</h3>
|
||||
<div class="outline-text-3" id="text-1-5">
|
||||
<p>
|
||||
<code>qmckl_context_copy</code> makes a shallow copy of a context. It returns
|
||||
@ -694,8 +694,8 @@ number of times the thread has locked it is saved in the
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
<div id="outline-container-orgeb320b7" class="outline-3">
|
||||
<h3 id="orgeb320b7"><span class="section-number-3">1.6</span> Destroy</h3>
|
||||
<div id="outline-container-org020df21" class="outline-3">
|
||||
<h3 id="org020df21"><span class="section-number-3">1.6</span> Destroy</h3>
|
||||
<div class="outline-text-3" id="text-1-6">
|
||||
<p>
|
||||
The context is destroyed with <code>qmckl_context_destroy</code>, leaving the ancestors untouched.
|
||||
@ -755,12 +755,12 @@ It frees the context, and returns the previous context.
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
<div id="outline-container-orgdedf9e0" class="outline-2">
|
||||
<h2 id="orgdedf9e0"><span class="section-number-2">2</span> Memory allocation handling</h2>
|
||||
<div id="outline-container-orgcc74eb6" class="outline-2">
|
||||
<h2 id="orgcc74eb6"><span class="section-number-2">2</span> Memory allocation handling</h2>
|
||||
<div class="outline-text-2" id="text-2">
|
||||
</div>
|
||||
<div id="outline-container-org675d127" class="outline-3">
|
||||
<h3 id="org675d127"><span class="section-number-3">2.1</span> Data structure</h3>
|
||||
<div id="outline-container-orgd070f1e" class="outline-3">
|
||||
<h3 id="orgd070f1e"><span class="section-number-3">2.1</span> Data structure</h3>
|
||||
<div class="outline-text-3" id="text-2-1">
|
||||
<p>
|
||||
Pointers to all allocated memory domains are stored in the context,
|
||||
@ -769,7 +769,7 @@ computation of the amount of currently used memory by the library.
|
||||
</p>
|
||||
|
||||
<div class="org-src-container">
|
||||
<pre class="src src-c" id="orgcfa443a"><span style="color: #a020f0;">typedef</span> <span style="color: #a020f0;">struct</span> <span style="color: #228b22;">qmckl_memory_struct</span> {
|
||||
<pre class="src src-c" id="org4d459bf"><span style="color: #a020f0;">typedef</span> <span style="color: #a020f0;">struct</span> <span style="color: #228b22;">qmckl_memory_struct</span> {
|
||||
<span style="color: #a020f0;">struct</span> <span style="color: #228b22;">qmckl_memory_struct</span> * <span style="color: #a0522d;">next</span> ;
|
||||
<span style="color: #228b22;">void</span> * <span style="color: #a0522d;">pointer</span> ;
|
||||
<span style="color: #228b22;">size_t</span> <span style="color: #a0522d;">size</span> ;
|
||||
@ -779,8 +779,8 @@ computation of the amount of currently used memory by the library.
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-org2c18ce0" class="outline-3">
|
||||
<h3 id="org2c18ce0"><span class="section-number-3">2.2</span> Append memory</h3>
|
||||
<div id="outline-container-orgb6ec4e1" class="outline-3">
|
||||
<h3 id="orgb6ec4e1"><span class="section-number-3">2.2</span> Append memory</h3>
|
||||
<div class="outline-text-3" id="text-2-2">
|
||||
<p>
|
||||
The following function, called in <a href="./qmckl_memory.html"><code>qmckl_memory.c</code></a>, appends a new
|
||||
@ -838,8 +838,8 @@ immediately with <code>QMCKL_SUCCESS</code>.
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-orga5aa506" class="outline-3">
|
||||
<h3 id="orga5aa506"><span class="section-number-3">2.3</span> Remove memory</h3>
|
||||
<div id="outline-container-orgd992281" class="outline-3">
|
||||
<h3 id="orgd992281"><span class="section-number-3">2.3</span> Remove memory</h3>
|
||||
<div class="outline-text-3" id="text-2-3">
|
||||
<p>
|
||||
The following function, called in <a href="./qmckl_memory.html"><code>qmckl_memory.c</code></a>, removes a
|
||||
@ -890,15 +890,15 @@ immediately with <code>QMCKL_SUCCESS</code>.
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-orged3cfc8" class="outline-2">
|
||||
<h2 id="orged3cfc8"><span class="section-number-2">3</span> Error handling</h2>
|
||||
<div id="outline-container-org076c2f7" class="outline-2">
|
||||
<h2 id="org076c2f7"><span class="section-number-2">3</span> Error handling</h2>
|
||||
<div class="outline-text-2" id="text-3">
|
||||
</div>
|
||||
<div id="outline-container-org0edd5da" class="outline-3">
|
||||
<h3 id="org0edd5da"><span class="section-number-3">3.1</span> Data structure</h3>
|
||||
<div id="outline-container-org7807473" class="outline-3">
|
||||
<h3 id="org7807473"><span class="section-number-3">3.1</span> Data structure</h3>
|
||||
<div class="outline-text-3" id="text-3-1">
|
||||
<div class="org-src-container">
|
||||
<pre class="src src-c" id="orgddfa180"><span style="color: #483d8b;">#define</span> <span style="color: #a0522d;">QMCKL_MAX_FUN_LEN</span> 256
|
||||
<pre class="src src-c" id="orgdfd0993"><span style="color: #483d8b;">#define</span> <span style="color: #a0522d;">QMCKL_MAX_FUN_LEN</span> 256
|
||||
<span style="color: #483d8b;">#define</span> <span style="color: #a0522d;">QMCKL_MAX_MSG_LEN</span> 1024
|
||||
|
||||
<span style="color: #a020f0;">typedef</span> <span style="color: #a020f0;">struct</span> <span style="color: #228b22;">qmckl_error_struct</span> {
|
||||
@ -913,8 +913,8 @@ immediately with <code>QMCKL_SUCCESS</code>.
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-org45075a0" class="outline-3">
|
||||
<h3 id="org45075a0"><span class="section-number-3">3.2</span> Updating errors</h3>
|
||||
<div id="outline-container-org59da75c" class="outline-3">
|
||||
<h3 id="org59da75c"><span class="section-number-3">3.2</span> Updating errors</h3>
|
||||
<div class="outline-text-3" id="text-3-2">
|
||||
<p>
|
||||
The error is updated in the context using
|
||||
@ -1063,8 +1063,8 @@ For example, this function can be used as
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-orgb1be843" class="outline-2">
|
||||
<h2 id="orgb1be843"><span class="section-number-2">4</span> Control of the numerical precision</h2>
|
||||
<div id="outline-container-org6cb7aff" class="outline-2">
|
||||
<h2 id="org6cb7aff"><span class="section-number-2">4</span> Control of the numerical precision</h2>
|
||||
<div class="outline-text-2" id="text-4">
|
||||
<p>
|
||||
Controlling numerical precision enables optimizations. Here, the
|
||||
@ -1072,7 +1072,7 @@ default parameters determining the target numerical precision and
|
||||
range are defined.
|
||||
</p>
|
||||
|
||||
<table id="org5f05df7" border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
|
||||
<table id="orgb6432cd" border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
|
||||
|
||||
|
||||
<colgroup>
|
||||
@ -1118,7 +1118,7 @@ range are defined.
|
||||
</div>
|
||||
|
||||
<div class="org-src-container">
|
||||
<pre class="src src-c" id="orga274ddc"><span style="color: #a020f0;">typedef</span> <span style="color: #a020f0;">struct</span> <span style="color: #228b22;">qmckl_precision_struct</span> {
|
||||
<pre class="src src-c" id="orgddbad32"><span style="color: #a020f0;">typedef</span> <span style="color: #a020f0;">struct</span> <span style="color: #228b22;">qmckl_precision_struct</span> {
|
||||
<span style="color: #228b22;">int</span> <span style="color: #a0522d;">precision</span>;
|
||||
<span style="color: #228b22;">int</span> <span style="color: #a0522d;">range</span>;
|
||||
} <span style="color: #228b22;">qmckl_precision_struct</span>;
|
||||
@ -1139,8 +1139,8 @@ integer. The update functions return <code>QMCKL_SUCCESS</code> or
|
||||
</p>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-org4a7b799" class="outline-3">
|
||||
<h3 id="org4a7b799"><span class="section-number-3">4.1</span> Precision</h3>
|
||||
<div id="outline-container-orgbc01c6d" class="outline-3">
|
||||
<h3 id="orgbc01c6d"><span class="section-number-3">4.1</span> Precision</h3>
|
||||
<div class="outline-text-3" id="text-4-1">
|
||||
<p>
|
||||
<code>qmckl_context_update_precision</code> modifies the parameter for the
|
||||
@ -1262,8 +1262,8 @@ different precision parameter.
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-orgd110711" class="outline-3">
|
||||
<h3 id="orgd110711"><span class="section-number-3">4.2</span> Range</h3>
|
||||
<div id="outline-container-orgea557dd" class="outline-3">
|
||||
<h3 id="orgea557dd"><span class="section-number-3">4.2</span> Range</h3>
|
||||
<div class="outline-text-3" id="text-4-2">
|
||||
<p>
|
||||
<code>qmckl_context_update_range</code> modifies the parameter for the numerical range in a given context.
|
||||
@ -1371,8 +1371,8 @@ different precision parameter.
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
<div id="outline-container-org452383c" class="outline-3">
|
||||
<h3 id="org452383c"><span class="section-number-3">4.3</span> Helper functions</h3>
|
||||
<div id="outline-container-orgf49558d" class="outline-3">
|
||||
<h3 id="orgf49558d"><span class="section-number-3">4.3</span> Helper functions</h3>
|
||||
<div class="outline-text-3" id="text-4-3">
|
||||
<p>
|
||||
<code>qmckl_context_get_epsilon</code> returns \(\epsilon = 2^{1-n}\) where <code>n</code> is the precision.
|
||||
@ -1388,8 +1388,8 @@ different precision parameter.
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
<div id="outline-container-orgeff3669" class="outline-2">
|
||||
<h2 id="orgeff3669"><span class="section-number-2">5</span> <span class="todo TODO">TODO</span> Basis set</h2>
|
||||
<div id="outline-container-orgc32045d" class="outline-2">
|
||||
<h2 id="orgc32045d"><span class="section-number-2">5</span> <span class="todo TODO">TODO</span> Basis set</h2>
|
||||
<div class="outline-text-2" id="text-5">
|
||||
<p>
|
||||
For H<sub>2</sub> with the following basis set,
|
||||
@ -1436,11 +1436,11 @@ COEFFICIENT = [ 0.006068, 0.045308, 0.202822, 0.503903, 0.383421,
|
||||
</pre>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-org63b5188" class="outline-3">
|
||||
<h3 id="org63b5188"><span class="section-number-3">5.1</span> Data structure</h3>
|
||||
<div id="outline-container-org143326d" class="outline-3">
|
||||
<h3 id="org143326d"><span class="section-number-3">5.1</span> Data structure</h3>
|
||||
<div class="outline-text-3" id="text-5-1">
|
||||
<div class="org-src-container">
|
||||
<pre class="src src-c" id="orge4f9e87"><span style="color: #a020f0;">typedef</span> <span style="color: #a020f0;">struct</span> <span style="color: #228b22;">qmckl_ao_basis_struct</span> {
|
||||
<pre class="src src-c" id="org0f7bbb8"><span style="color: #a020f0;">typedef</span> <span style="color: #a020f0;">struct</span> <span style="color: #228b22;">qmckl_ao_basis_struct</span> {
|
||||
|
||||
<span style="color: #228b22;">int64_t</span> <span style="color: #a0522d;">shell_num</span>;
|
||||
<span style="color: #228b22;">int64_t</span> <span style="color: #a0522d;">prim_num</span>;
|
||||
@ -1458,8 +1458,8 @@ COEFFICIENT = [ 0.006068, 0.045308, 0.202822, 0.503903, 0.383421,
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-orgffe8446" class="outline-3">
|
||||
<h3 id="orgffe8446"><span class="section-number-3">5.2</span> <code>qmckl_context_update_ao_basis</code></h3>
|
||||
<div id="outline-container-org9f6f074" class="outline-3">
|
||||
<h3 id="org9f6f074"><span class="section-number-3">5.2</span> <code>qmckl_context_update_ao_basis</code></h3>
|
||||
<div class="outline-text-3" id="text-5-2">
|
||||
<p>
|
||||
Updates the data describing the AO basis set into the context.
|
||||
@ -1543,8 +1543,8 @@ Updates the data describing the AO basis set into the context.
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-orgacd18ae" class="outline-4">
|
||||
<h4 id="orgacd18ae"><span class="section-number-4">5.2.1</span> Source</h4>
|
||||
<div id="outline-container-org6f3e1b9" class="outline-4">
|
||||
<h4 id="org6f3e1b9"><span class="section-number-4">5.2.1</span> Source</h4>
|
||||
<div class="outline-text-4" id="text-5-2-1">
|
||||
<div class="org-src-container">
|
||||
<pre class="src src-c"><span style="color: #228b22;">qmckl_exit_code</span>
|
||||
@ -1685,8 +1685,8 @@ Updates the data describing the AO basis set into the context.
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-org0287828" class="outline-4">
|
||||
<h4 id="org0287828"><span class="section-number-4">5.2.2</span> Fortran interface</h4>
|
||||
<div id="outline-container-org42cc245" class="outline-4">
|
||||
<h4 id="org42cc245"><span class="section-number-4">5.2.2</span> Fortran interface</h4>
|
||||
<div class="outline-text-4" id="text-5-2-2">
|
||||
<div class="org-src-container">
|
||||
<pre class="src src-f90"><span style="color: #a020f0;">interface</span>
|
||||
@ -1712,13 +1712,13 @@ Updates the data describing the AO basis set into the context.
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-orgfb590d1" class="outline-4">
|
||||
<h4 id="orgfb590d1"><span class="section-number-4">5.2.3</span> <span class="todo TODO">TODO</span> Test</h4>
|
||||
<div id="outline-container-org2fb9406" class="outline-4">
|
||||
<h4 id="org2fb9406"><span class="section-number-4">5.2.3</span> <span class="todo TODO">TODO</span> Test</h4>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-org826bc2c" class="outline-3">
|
||||
<h3 id="org826bc2c"><span class="section-number-3">5.3</span> <code>qmckl_context_set_ao_basis</code></h3>
|
||||
<div id="outline-container-org521e053" class="outline-3">
|
||||
<h3 id="org521e053"><span class="section-number-3">5.3</span> <code>qmckl_context_set_ao_basis</code></h3>
|
||||
<div class="outline-text-3" id="text-5-3">
|
||||
<p>
|
||||
Sets the data describing the AO basis set into the context.
|
||||
@ -1797,8 +1797,8 @@ Sets the data describing the AO basis set into the context.
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-orgab01043" class="outline-4">
|
||||
<h4 id="orgab01043"><span class="section-number-4">5.3.1</span> Source</h4>
|
||||
<div id="outline-container-org6507ab3" class="outline-4">
|
||||
<h4 id="org6507ab3"><span class="section-number-4">5.3.1</span> Source</h4>
|
||||
<div class="outline-text-4" id="text-5-3-1">
|
||||
<div class="org-src-container">
|
||||
<pre class="src src-c"><span style="color: #228b22;">qmckl_context</span>
|
||||
@ -1827,8 +1827,8 @@ Sets the data describing the AO basis set into the context.
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-org8bd63de" class="outline-4">
|
||||
<h4 id="org8bd63de"><span class="section-number-4">5.3.2</span> Fortran interface</h4>
|
||||
<div id="outline-container-orgbf8da73" class="outline-4">
|
||||
<h4 id="orgbf8da73"><span class="section-number-4">5.3.2</span> Fortran interface</h4>
|
||||
<div class="outline-text-4" id="text-5-3-2">
|
||||
<div class="org-src-container">
|
||||
<pre class="src src-f90"><span style="color: #a020f0;">interface</span>
|
||||
@ -1854,15 +1854,15 @@ Sets the data describing the AO basis set into the context.
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-org471b7e2" class="outline-4">
|
||||
<h4 id="org471b7e2"><span class="section-number-4">5.3.3</span> <span class="todo TODO">TODO</span> Test</h4>
|
||||
<div id="outline-container-org21985a2" class="outline-4">
|
||||
<h4 id="org21985a2"><span class="section-number-4">5.3.3</span> <span class="todo TODO">TODO</span> Test</h4>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
<div id="postamble" class="status">
|
||||
<p class="author">Author: TREX CoE</p>
|
||||
<p class="date">Created: 2021-03-19 Fri 18:00</p>
|
||||
<p class="date">Created: 2021-03-19 Fri 18:03</p>
|
||||
<p class="validation"><a href="http://validator.w3.org/check?uri=referer">Validate</a></p>
|
||||
</div>
|
||||
</body>
|
||||
|
||||
@ -3,7 +3,7 @@
|
||||
"http://www.w3.org/TR/xhtml1/DTD/xhtml1-strict.dtd">
|
||||
<html xmlns="http://www.w3.org/1999/xhtml" lang="en" xml:lang="en">
|
||||
<head>
|
||||
<!-- 2021-03-19 Fri 18:00 -->
|
||||
<!-- 2021-03-19 Fri 18:03 -->
|
||||
<meta http-equiv="Content-Type" content="text/html;charset=utf-8" />
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1" />
|
||||
<title>Distances</title>
|
||||
@ -333,13 +333,13 @@ for the JavaScript code in this tag.
|
||||
<h2>Table of Contents</h2>
|
||||
<div id="text-table-of-contents">
|
||||
<ul>
|
||||
<li><a href="#org4dfc3d0">1. Squared distance</a>
|
||||
<li><a href="#org884208c">1. Squared distance</a>
|
||||
<ul>
|
||||
<li>
|
||||
<ul>
|
||||
<li><a href="#org472833b">1.0.1. Requirements</a></li>
|
||||
<li><a href="#org73843c9">1.0.2. Performance</a></li>
|
||||
<li><a href="#org2e20cd7">1.0.3. Source</a></li>
|
||||
<li><a href="#org7c8014d">1.0.1. Requirements</a></li>
|
||||
<li><a href="#org89b6183">1.0.2. Performance</a></li>
|
||||
<li><a href="#org04cf3f9">1.0.3. Source</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
</ul>
|
||||
@ -351,8 +351,8 @@ for the JavaScript code in this tag.
|
||||
Functions for the computation of distances between particles.
|
||||
</p>
|
||||
|
||||
<div id="outline-container-org4dfc3d0" class="outline-2">
|
||||
<h2 id="org4dfc3d0"><span class="section-number-2">1</span> Squared distance</h2>
|
||||
<div id="outline-container-org884208c" class="outline-2">
|
||||
<h2 id="org884208c"><span class="section-number-2">1</span> Squared distance</h2>
|
||||
<div class="outline-text-2" id="text-1">
|
||||
<p>
|
||||
<code>qmckl_distance_sq</code> computes the matrix of the squared distances
|
||||
@ -445,8 +445,8 @@ Functions for the computation of distances between particles.
|
||||
</table>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-org472833b" class="outline-4">
|
||||
<h4 id="org472833b"><span class="section-number-4">1.0.1</span> Requirements</h4>
|
||||
<div id="outline-container-org7c8014d" class="outline-4">
|
||||
<h4 id="org7c8014d"><span class="section-number-4">1.0.1</span> Requirements</h4>
|
||||
<div class="outline-text-4" id="text-1-0-1">
|
||||
<ul class="org-ul">
|
||||
<li><code>context</code> is not 0</li>
|
||||
@ -464,8 +464,8 @@ Functions for the computation of distances between particles.
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-org73843c9" class="outline-4">
|
||||
<h4 id="org73843c9"><span class="section-number-4">1.0.2</span> Performance</h4>
|
||||
<div id="outline-container-org89b6183" class="outline-4">
|
||||
<h4 id="org89b6183"><span class="section-number-4">1.0.2</span> Performance</h4>
|
||||
<div class="outline-text-4" id="text-1-0-2">
|
||||
<p>
|
||||
This function might be more efficient when <code>A</code> and <code>B</code> are
|
||||
@ -484,8 +484,8 @@ transposed.
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-org2e20cd7" class="outline-4">
|
||||
<h4 id="org2e20cd7"><span class="section-number-4">1.0.3</span> Source</h4>
|
||||
<div id="outline-container-org04cf3f9" class="outline-4">
|
||||
<h4 id="org04cf3f9"><span class="section-number-4">1.0.3</span> Source</h4>
|
||||
<div class="outline-text-4" id="text-1-0-3">
|
||||
<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>
|
||||
@ -621,7 +621,7 @@ transposed.
|
||||
</div>
|
||||
<div id="postamble" class="status">
|
||||
<p class="author">Author: TREX CoE</p>
|
||||
<p class="date">Created: 2021-03-19 Fri 18:00</p>
|
||||
<p class="date">Created: 2021-03-19 Fri 18:03</p>
|
||||
<p class="validation"><a href="http://validator.w3.org/check?uri=referer">Validate</a></p>
|
||||
</div>
|
||||
</body>
|
||||
|
||||
565
qmckl_error.html
565
qmckl_error.html
@ -1,565 +0,0 @@
|
||||
<?xml version="1.0" encoding="utf-8"?>
|
||||
<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Strict//EN"
|
||||
"http://www.w3.org/TR/xhtml1/DTD/xhtml1-strict.dtd">
|
||||
<html xmlns="http://www.w3.org/1999/xhtml" lang="en" xml:lang="en">
|
||||
<head>
|
||||
<!-- 2021-03-19 Fri 18:00 -->
|
||||
<meta http-equiv="Content-Type" content="text/html;charset=utf-8" />
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1" />
|
||||
<title>Error handling</title>
|
||||
<meta name="generator" content="Org mode" />
|
||||
<meta name="author" content="TREX CoE" />
|
||||
<style type="text/css">
|
||||
<!--/*--><![CDATA[/*><!--*/
|
||||
.title { text-align: center;
|
||||
margin-bottom: .2em; }
|
||||
.subtitle { text-align: center;
|
||||
font-size: medium;
|
||||
font-weight: bold;
|
||||
margin-top:0; }
|
||||
.todo { font-family: monospace; color: red; }
|
||||
.done { font-family: monospace; color: green; }
|
||||
.priority { font-family: monospace; color: orange; }
|
||||
.tag { background-color: #eee; font-family: monospace;
|
||||
padding: 2px; font-size: 80%; font-weight: normal; }
|
||||
.timestamp { color: #bebebe; }
|
||||
.timestamp-kwd { color: #5f9ea0; }
|
||||
.org-right { margin-left: auto; margin-right: 0px; text-align: right; }
|
||||
.org-left { margin-left: 0px; margin-right: auto; text-align: left; }
|
||||
.org-center { margin-left: auto; margin-right: auto; text-align: center; }
|
||||
.underline { text-decoration: underline; }
|
||||
#postamble p, #preamble p { font-size: 90%; margin: .2em; }
|
||||
p.verse { margin-left: 3%; }
|
||||
pre {
|
||||
border: 1px solid #ccc;
|
||||
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|
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|
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|
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|
||||
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|
||||
* section 4, provided you include this license notice and a URL
|
||||
* through which recipients can access the Corresponding Source.
|
||||
*
|
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* @licend The above is the entire license notice
|
||||
* for the JavaScript code in org-info.js.
|
||||
*
|
||||
*/
|
||||
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|
||||
|
||||
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|
||||
|
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/*
|
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@licstart The following is the entire license notice for the
|
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JavaScript code in this tag.
|
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|
||||
Copyright (C) 2012-2019 Free Software Foundation, Inc.
|
||||
|
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The JavaScript code in this tag is free software: you can
|
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|
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General Public License (GNU GPL) as published by the Free Software
|
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Foundation, either version 3 of the License, or (at your option)
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|
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|
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|
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|
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|
||||
that code without the copy of the GNU GPL normally required by
|
||||
section 4, provided you include this license notice and a URL
|
||||
through which recipients can access the Corresponding Source.
|
||||
|
||||
|
||||
@licend The above is the entire license notice
|
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for the JavaScript code in this tag.
|
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|
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|
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/*
|
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@licstart The following is the entire license notice for the
|
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|
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|
||||
Copyright (C) 2012-2019 Free Software Foundation, Inc.
|
||||
|
||||
The JavaScript code in this tag is free software: you can
|
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|
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General Public License (GNU GPL) as published by the Free Software
|
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|
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|
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|
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|
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|
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|
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that code without the copy of the GNU GPL normally required by
|
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section 4, provided you include this license notice and a URL
|
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through which recipients can access the Corresponding Source.
|
||||
|
||||
|
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@licend The above is the entire license notice
|
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for the JavaScript code in this tag.
|
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|
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</head>
|
||||
<body>
|
||||
<div id="org-div-home-and-up">
|
||||
<a accesskey="h" href=""> UP </a>
|
||||
|
|
||||
<a accesskey="H" href="index.html"> HOME </a>
|
||||
</div><div id="content">
|
||||
<h1 class="title">Error handling</h1>
|
||||
<div id="table-of-contents">
|
||||
<h2>Table of Contents</h2>
|
||||
<div id="text-table-of-contents">
|
||||
<ul>
|
||||
<li><a href="#orge38eeac"></a></li>
|
||||
</ul>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-orge38eeac" class="outline-2">
|
||||
<h2 id="orge38eeac"></h2>
|
||||
<div class="outline-text-2" id="text-orge38eeac">
|
||||
<p>
|
||||
The library should never make the calling programs abort, nor
|
||||
perform any input/output operations. This decision has to be taken
|
||||
by the developer of the code calling the library.
|
||||
</p>
|
||||
|
||||
<p>
|
||||
All the functions return with an exit code, defined as
|
||||
</p>
|
||||
<div class="org-src-container">
|
||||
<pre class="src src-c" id="orgb0950a8"><span style="color: #a020f0;">typedef</span> <span style="color: #228b22;">int32_t</span> <span style="color: #228b22;">qmckl_exit_code</span>;
|
||||
</pre>
|
||||
</div>
|
||||
|
||||
<p>
|
||||
The exit code returns the completion status of the function to the
|
||||
calling program. When a function call completed successfully,
|
||||
<code>QMCKL_SUCCESS</code> is returned. If one of the functions of
|
||||
the library fails to complete the requested task, an appropriate
|
||||
error code is returned to the program.
|
||||
</p>
|
||||
|
||||
<p>
|
||||
Here is the complete list of exit codes.
|
||||
</p>
|
||||
|
||||
<table id="org9a62dd6" border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
|
||||
|
||||
|
||||
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|
||||
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|
||||
|
||||
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|
||||
|
||||
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|
||||
</colgroup>
|
||||
<thead>
|
||||
<tr>
|
||||
<th scope="col" class="org-left">Macro</th>
|
||||
<th scope="col" class="org-right">Code</th>
|
||||
<th scope="col" class="org-left">Description</th>
|
||||
</tr>
|
||||
</thead>
|
||||
<tbody>
|
||||
<tr>
|
||||
<td class="org-left"><code>QMCKL_SUCCESS</code></td>
|
||||
<td class="org-right">0</td>
|
||||
<td class="org-left">'Success'</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="org-left"><code>QMCKL_INVALID_ARG_1</code></td>
|
||||
<td class="org-right">1</td>
|
||||
<td class="org-left">'Invalid argument 1'</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="org-left"><code>QMCKL_INVALID_ARG_2</code></td>
|
||||
<td class="org-right">2</td>
|
||||
<td class="org-left">'Invalid argument 2'</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="org-left"><code>QMCKL_INVALID_ARG_3</code></td>
|
||||
<td class="org-right">3</td>
|
||||
<td class="org-left">'Invalid argument 3'</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="org-left"><code>QMCKL_INVALID_ARG_4</code></td>
|
||||
<td class="org-right">4</td>
|
||||
<td class="org-left">'Invalid argument 4'</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="org-left"><code>QMCKL_INVALID_ARG_5</code></td>
|
||||
<td class="org-right">5</td>
|
||||
<td class="org-left">'Invalid argument 5'</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="org-left"><code>QMCKL_INVALID_ARG_6</code></td>
|
||||
<td class="org-right">6</td>
|
||||
<td class="org-left">'Invalid argument 6'</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="org-left"><code>QMCKL_INVALID_ARG_7</code></td>
|
||||
<td class="org-right">7</td>
|
||||
<td class="org-left">'Invalid argument 7'</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="org-left"><code>QMCKL_INVALID_ARG_8</code></td>
|
||||
<td class="org-right">8</td>
|
||||
<td class="org-left">'Invalid argument 8'</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="org-left"><code>QMCKL_INVALID_ARG_9</code></td>
|
||||
<td class="org-right">9</td>
|
||||
<td class="org-left">'Invalid argument 9'</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="org-left"><code>QMCKL_INVALID_ARG_10</code></td>
|
||||
<td class="org-right">10</td>
|
||||
<td class="org-left">'Invalid argument 10'</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="org-left"><code>QMCKL_FAILURE</code></td>
|
||||
<td class="org-right">101</td>
|
||||
<td class="org-left">'Failure'</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="org-left"><code>QMCKL_ERRNO</code></td>
|
||||
<td class="org-right">102</td>
|
||||
<td class="org-left">strerror(errno)</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="org-left"><code>QMCKL_INVALID_CONTEXT</code></td>
|
||||
<td class="org-right">103</td>
|
||||
<td class="org-left">'Invalid context'</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="org-left"><code>QMCKL_ALLOCATION_FAILED</code></td>
|
||||
<td class="org-right">104</td>
|
||||
<td class="org-left">'Allocation failed'</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="org-left"><code>QMCKL_DEALLOCATION_FAILED</code></td>
|
||||
<td class="org-right">105</td>
|
||||
<td class="org-left">'De-allocation failed'</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="org-left"><code>QMCKL_INVALID_EXIT_CODE</code></td>
|
||||
<td class="org-right">106</td>
|
||||
<td class="org-left">'Invalid exit code'</td>
|
||||
</tr>
|
||||
</tbody>
|
||||
</table>
|
||||
|
||||
<p>
|
||||
The <code>qmckl_strerror</code> converts an exit code into a string. The
|
||||
string is assumed to be large enough to contain the error message
|
||||
(typically 128 characters).
|
||||
</p>
|
||||
|
||||
<pre class="example">
|
||||
128
|
||||
|
||||
</pre>
|
||||
|
||||
<p>
|
||||
The text strings are extracted from the previous table.
|
||||
</p>
|
||||
|
||||
<div class="org-src-container">
|
||||
<pre class="src src-c"><span style="color: #228b22;">void</span> <span style="color: #0000ff;">qmckl_string_of_error</span>(<span style="color: #228b22;">qmckl_exit_code</span> <span style="color: #a0522d;">error</span>, <span style="color: #228b22;">char</span> <span style="color: #a0522d;">string</span>[128]) {
|
||||
<span style="color: #228b22;">char</span>* <span style="color: #a0522d;">message</span>;
|
||||
<span style="color: #a020f0;">switch</span> (error) {
|
||||
<span style="color: #a020f0;">case</span> QMCKL_SUCCESS:
|
||||
message = <span style="color: #8b2252;">"Success"</span>;
|
||||
<span style="color: #a020f0;">break</span>;
|
||||
<span style="color: #a020f0;">case</span> QMCKL_INVALID_ARG_1:
|
||||
message = <span style="color: #8b2252;">"Invalid argument 1"</span>;
|
||||
<span style="color: #a020f0;">break</span>;
|
||||
<span style="color: #a020f0;">case</span> QMCKL_INVALID_ARG_2:
|
||||
message = <span style="color: #8b2252;">"Invalid argument 2"</span>;
|
||||
<span style="color: #a020f0;">break</span>;
|
||||
<span style="color: #a020f0;">case</span> QMCKL_INVALID_ARG_3:
|
||||
message = <span style="color: #8b2252;">"Invalid argument 3"</span>;
|
||||
<span style="color: #a020f0;">break</span>;
|
||||
<span style="color: #a020f0;">case</span> QMCKL_INVALID_ARG_4:
|
||||
message = <span style="color: #8b2252;">"Invalid argument 4"</span>;
|
||||
<span style="color: #a020f0;">break</span>;
|
||||
<span style="color: #a020f0;">case</span> QMCKL_INVALID_ARG_5:
|
||||
message = <span style="color: #8b2252;">"Invalid argument 5"</span>;
|
||||
<span style="color: #a020f0;">break</span>;
|
||||
<span style="color: #a020f0;">case</span> QMCKL_INVALID_ARG_6:
|
||||
message = <span style="color: #8b2252;">"Invalid argument 6"</span>;
|
||||
<span style="color: #a020f0;">break</span>;
|
||||
<span style="color: #a020f0;">case</span> QMCKL_INVALID_ARG_7:
|
||||
message = <span style="color: #8b2252;">"Invalid argument 7"</span>;
|
||||
<span style="color: #a020f0;">break</span>;
|
||||
<span style="color: #a020f0;">case</span> QMCKL_INVALID_ARG_8:
|
||||
message = <span style="color: #8b2252;">"Invalid argument 8"</span>;
|
||||
<span style="color: #a020f0;">break</span>;
|
||||
<span style="color: #a020f0;">case</span> QMCKL_INVALID_ARG_9:
|
||||
message = <span style="color: #8b2252;">"Invalid argument 9"</span>;
|
||||
<span style="color: #a020f0;">break</span>;
|
||||
<span style="color: #a020f0;">case</span> QMCKL_INVALID_ARG_10:
|
||||
message = <span style="color: #8b2252;">"Invalid argument 10"</span>;
|
||||
<span style="color: #a020f0;">break</span>;
|
||||
<span style="color: #a020f0;">case</span> QMCKL_FAILURE:
|
||||
message = <span style="color: #8b2252;">"Failure"</span>;
|
||||
<span style="color: #a020f0;">break</span>;
|
||||
<span style="color: #a020f0;">case</span> QMCKL_ERRNO:
|
||||
message = strerror(errno);
|
||||
<span style="color: #a020f0;">break</span>;
|
||||
<span style="color: #a020f0;">case</span> QMCKL_INVALID_CONTEXT:
|
||||
message = <span style="color: #8b2252;">"Invalid context"</span>;
|
||||
<span style="color: #a020f0;">break</span>;
|
||||
<span style="color: #a020f0;">case</span> QMCKL_ALLOCATION_FAILED:
|
||||
message = <span style="color: #8b2252;">"Allocation failed"</span>;
|
||||
<span style="color: #a020f0;">break</span>;
|
||||
<span style="color: #a020f0;">case</span> QMCKL_DEALLOCATION_FAILED:
|
||||
message = <span style="color: #8b2252;">"De-allocation failed"</span>;
|
||||
<span style="color: #a020f0;">break</span>;
|
||||
<span style="color: #a020f0;">case</span> QMCKL_INVALID_EXIT_CODE:
|
||||
message = <span style="color: #8b2252;">"Invalid exit code"</span>;
|
||||
<span style="color: #a020f0;">break</span>;
|
||||
}
|
||||
strncpy(string,message,128);
|
||||
}
|
||||
</pre>
|
||||
</div>
|
||||
|
||||
<div class="org-src-container">
|
||||
<pre class="src src-f90"><span style="color: #a020f0;">interface</span>
|
||||
<span style="color: #228b22;">type (c_ptr) </span><span style="color: #a020f0;">function</span> <span style="color: #0000ff;">qmckl_string_of_error</span> <span style="color: #000000; background-color: #ffffff;">(error, string) bind(C)</span>
|
||||
<span style="color: #a020f0;">use</span>, <span style="color: #a020f0;">intrinsic</span> :: <span style="color: #0000ff;">iso_c_binding</span>
|
||||
<span style="color: #228b22;">integer</span> (<span style="color: #008b8b;">c_int32_t</span>), <span style="color: #a020f0;">intent</span>(in), <span style="color: #a020f0;">value</span> ::<span style="color: #a0522d;"> error</span>
|
||||
<span style="color: #228b22;">character</span>*(), <span style="color: #a020f0;">intent</span>(out) ::<span style="color: #a0522d;"> string</span>
|
||||
<span style="color: #a020f0;">end function</span> <span style="color: #0000ff;">qmckl_string_of_error</span>
|
||||
<span style="color: #a020f0;">end interface</span>
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
<div id="postamble" class="status">
|
||||
<p class="author">Author: TREX CoE</p>
|
||||
<p class="date">Created: 2021-03-19 Fri 18:00</p>
|
||||
<p class="validation"><a href="http://validator.w3.org/check?uri=referer">Validate</a></p>
|
||||
</div>
|
||||
</body>
|
||||
</html>
|
||||
@ -3,7 +3,7 @@
|
||||
"http://www.w3.org/TR/xhtml1/DTD/xhtml1-strict.dtd">
|
||||
<html xmlns="http://www.w3.org/1999/xhtml" lang="en" xml:lang="en">
|
||||
<head>
|
||||
<!-- 2021-03-19 Fri 18:00 -->
|
||||
<!-- 2021-03-19 Fri 18:03 -->
|
||||
<meta http-equiv="Content-Type" content="text/html;charset=utf-8" />
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1" />
|
||||
<title>Memory management</title>
|
||||
@ -311,7 +311,7 @@ for the JavaScript code in this tag.
|
||||
<h2>Table of Contents</h2>
|
||||
<div id="text-table-of-contents">
|
||||
<ul>
|
||||
<li><a href="#org3729bc5"></a></li>
|
||||
<li><a href="#org53c7803"></a></li>
|
||||
</ul>
|
||||
</div>
|
||||
</div>
|
||||
@ -321,9 +321,9 @@ optimized libraries to fine-tune the memory allocation.
|
||||
</p>
|
||||
|
||||
|
||||
<div id="outline-container-org3729bc5" class="outline-2">
|
||||
<h2 id="org3729bc5"></h2>
|
||||
<div class="outline-text-2" id="text-org3729bc5">
|
||||
<div id="outline-container-org53c7803" class="outline-2">
|
||||
<h2 id="org53c7803"></h2>
|
||||
<div class="outline-text-2" id="text-org53c7803">
|
||||
<p>
|
||||
Memory allocation inside the library should be done with
|
||||
<code>qmckl_malloc</code>. It lets the library choose how the memory will be
|
||||
@ -429,7 +429,7 @@ allocation and needs to be updated.
|
||||
</div>
|
||||
<div id="postamble" class="status">
|
||||
<p class="author">Author: TREX CoE</p>
|
||||
<p class="date">Created: 2021-03-19 Fri 18:00</p>
|
||||
<p class="date">Created: 2021-03-19 Fri 18:03</p>
|
||||
<p class="validation"><a href="http://validator.w3.org/check?uri=referer">Validate</a></p>
|
||||
</div>
|
||||
</body>
|
||||
|
||||
@ -3,7 +3,7 @@
|
||||
"http://www.w3.org/TR/xhtml1/DTD/xhtml1-strict.dtd">
|
||||
<html xmlns="http://www.w3.org/1999/xhtml" lang="en" xml:lang="en">
|
||||
<head>
|
||||
<!-- 2021-03-19 Fri 18:00 -->
|
||||
<!-- 2021-03-19 Fri 18:03 -->
|
||||
<meta http-equiv="Content-Type" content="text/html;charset=utf-8" />
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1" />
|
||||
<title>Testing</title>
|
||||
@ -311,7 +311,7 @@ for the JavaScript code in this tag.
|
||||
</div>
|
||||
<div id="postamble" class="status">
|
||||
<p class="author">Author: TREX CoE</p>
|
||||
<p class="date">Created: 2021-03-19 Fri 18:00</p>
|
||||
<p class="date">Created: 2021-03-19 Fri 18:03</p>
|
||||
<p class="validation"><a href="http://validator.w3.org/check?uri=referer">Validate</a></p>
|
||||
</div>
|
||||
</body>
|
||||
|
||||
Loading…
Reference in New Issue
Block a user