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Fix for ocaml 4.14.0
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<!-- 2022-12-12 Mon 18:12 -->
MP2 OK
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Update documentation
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MP2 OK
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<body>
Add Gaussian.Atomic_shell_pair
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<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">
MP2 OK
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<h1 class="title">Common</h1>
<div id="table-of-contents">
<h2>Table of Contents</h2>
<div id="text-table-of-contents">
<ul>
Fix for ocaml 4.14.0
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<li><a href="#orgb46b4c6">1. Summary</a></li>
<li><a href="#org0992a20">2. Angular Momentum</a>
MP2 OK
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<ul>
Fix for ocaml 4.14.0
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<li><a href="#orgc4cb4cb">2.1. Type</a></li>
<li><a href="#orge058b0d">2.2. Conversions</a></li>
<li><a href="#org636be66">2.3. Shell functions</a></li>
<li><a href="#org865ca70">2.4. Arithmetic</a></li>
<li><a href="#orgb72a342">2.5. Printers</a></li>
<li><a href="#org1661eed">2.6. <span class="todo TODO">TODO</span> Tests</a></li>
MP2 OK
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</ul>
</li>
Fix for ocaml 4.14.0
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<li><a href="#org9038118">3. Bit string</a>
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<ul>
Fix for ocaml 4.14.0
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<li><a href="#org147d32e">3.1. Type</a></li>
<li><a href="#orgf3e9618">3.2. General implementation</a></li>
<li><a href="#org8c1b380">3.3. Printers</a></li>
MP2 OK
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</ul>
</li>
Fix for ocaml 4.14.0
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<li><a href="#orga411a46">4. Charge</a>
MP2 OK
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<ul>
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<li><a href="#orge9340ef">4.1. Type</a></li>
<li><a href="#org5ac1c65">4.2. Conversions</a></li>
<li><a href="#org88efaa8">4.3. Simple operations</a></li>
<li><a href="#org1a7f5fd">4.4. Printers</a></li>
MP2 OK
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</ul>
</li>
Fix for ocaml 4.14.0
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<li><a href="#orgb0eff41">5. Command line</a>
MP2 OK
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<ul>
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<li><a href="#org9ed765d">5.1. Types</a></li>
<li><a href="#org0f36775">5.2. Mutable attributes</a></li>
<li><a href="#org0cd377f">5.3. Query functions</a></li>
<li><a href="#orgcddd8db">5.4. Specification</a></li>
MP2 OK
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</ul>
</li>
Fix for ocaml 4.14.0
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<li><a href="#org7a00c30">6. Constants</a>
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<ul>
Fix for ocaml 4.14.0
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<li><a href="#org72c17d4">6.1. Thresholds</a></li>
<li><a href="#org7bb5f48">6.2. Mathematical constants</a></li>
<li><a href="#org1cb4cd0">6.3. Physical constants</a></li>
MP2 OK
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</ul>
</li>
Fix for ocaml 4.14.0
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<li><a href="#orga8316de">7. Coordinate</a>
MP2 OK
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<ul>
Fix for ocaml 4.14.0
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<li><a href="#org79a102d">7.1. Type</a></li>
<li><a href="#orgb63620c">7.2. Creation</a></li>
<li><a href="#orgc046d38">7.3. Conversion</a></li>
<li><a href="#orgc5901cd">7.4. Vector operations</a></li>
<li><a href="#orge4e8f09">7.5. Printers</a></li>
MP2 OK
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</ul>
</li>
Fix for ocaml 4.14.0
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<li><a href="#org24b2513">8. Non-negative float</a>
MP2 OK
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<ul>
Fix for ocaml 4.14.0
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<li><a href="#org42a50d8">8.1. Type</a></li>
<li><a href="#org67cedc0">8.2. Conversions</a></li>
MP2 OK
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</ul>
</li>
Fix for ocaml 4.14.0
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<li><a href="#org4e3bb08">9. Powers</a>
MP2 OK
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<ul>
Fix for ocaml 4.14.0
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<li><a href="#orgaec5dbf">9.1. Type</a></li>
<li><a href="#org9e37049">9.2. Conversions</a></li>
<li><a href="#org61e930e">9.3. Operations</a></li>
<li><a href="#org03797cd">9.4. Printers</a></li>
MP2 OK
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</ul>
</li>
Fix for ocaml 4.14.0
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<li><a href="#orgdf7c5f6">10. QCaml</a></li>
<li><a href="#org6adfb62">11. Range</a>
MP2 OK
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<ul>
Fix for ocaml 4.14.0
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<li><a href="#org42226d0">11.1. Type</a></li>
<li><a href="#org1a7eb11">11.2. Conversion</a></li>
<li><a href="#org2e1c235">11.3. Printers</a></li>
MP2 OK
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</ul>
</li>
Fix for ocaml 4.14.0
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<li><a href="#orgf39e0c5">12. Spin</a>
MP2 OK
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<ul>
Fix for ocaml 4.14.0
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<li><a href="#org9a3412b">12.1. Type</a></li>
<li><a href="#orga211269">12.2. Functions</a></li>
<li><a href="#orgd45254f">12.3. Printers</a></li>
MP2 OK
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</ul>
</li>
Fix for ocaml 4.14.0
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<li><a href="#org112760f">13. Util</a>
MP2 OK
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<ul>
Fix for ocaml 4.14.0
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<li><a href="#orga9dd15f">13.1. External C functions</a>
MP2 OK
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<ul>
Fix for ocaml 4.14.0
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<li><a href="#orgffe658e">13.1.1. Erf</a></li>
<li><a href="#org9b6fec1">13.1.2. Erfc</a></li>
<li><a href="#org8e5f09f">13.1.3. Gamma</a></li>
<li><a href="#orgabbe075">13.1.4. Popcnt</a></li>
<li><a href="#orge608f84">13.1.5. Trailz</a></li>
<li><a href="#orgc7b8b23">13.1.6. Leadz</a></li>
<li><a href="#org6431a20">13.1.7. Test</a></li>
MP2 OK
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</ul>
</li>
Fix for ocaml 4.14.0
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<li><a href="#org3316248">13.2. General functions</a></li>
<li><a href="#org0fe518a">13.3. Functions related to the Boys function</a></li>
<li><a href="#org0e30fdf">13.4. List functions</a></li>
<li><a href="#orgaddbe86">13.5. Array functions</a></li>
<li><a href="#orgcabbcdc">13.6. Stream functions</a></li>
<li><a href="#orgb9deae4">13.7. Printers</a></li>
MP2 OK
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</ul>
</li>
Fix for ocaml 4.14.0
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<li><a href="#orgf88e554">14. Zkey</a>
MP2 OK
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<ul>
Fix for ocaml 4.14.0
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<li><a href="#orgc7c538e">14.1. Types</a></li>
<li><a href="#org0215c7d">14.2. Conversions</a></li>
<li><a href="#org5614300">14.3. Functions for hash tables</a></li>
<li><a href="#org4fc56a9">14.4. Printers</a></li>
MP2 OK
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</ul>
</li>
Fix for ocaml 4.14.0
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<li><a href="#orgd46005c">15. Zmap</a>
MP2 OK
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<ul>
Fix for ocaml 4.14.0
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<li><a href="#org928a378">15.1. Type</a></li>
MP2 OK
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</ul>
</li>
</ul>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orgb46b4c6" class="outline-2">
<h2 id="orgb46b4c6"><span class="section-number-2">1</span> Summary</h2>
Update documentation
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</div>
MP2 OK
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Fix for ocaml 4.14.0
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<div id="outline-container-org0992a20" class="outline-2">
<h2 id="org0992a20"><span class="section-number-2">2</span> Angular Momentum</h2>
Update documentation
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<div class="outline-text-2" id="text-2">
MP2 OK
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<p>
Azimuthal quantum number, repsesented as \( s,p,d,\dots \) .
</p>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orgc4cb4cb" class="outline-3">
<h3 id="orgc4cb4cb"><span class="section-number-3">2.1</span> Type</h3>
Update documentation
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<div class="outline-text-3" id="text-2-1">
<p>
Fix for ocaml 4.14.0
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<a id="org5469fc7"><code>Angular_momentum.t</code></a>
Update documentation
2021-01-28 00:34:26 +01:00
</p>
MP2 OK
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<div class="org-src-container">
Fix for ocaml 4.14.0
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<pre class="src src-ocaml" id="org748ea5f"><span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">t</span> <span class="org-tuareg-font-lock-operator">=</span>
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<span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">S</span> <span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">P</span> <span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">D</span> <span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">F</span> <span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">G</span> <span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">H</span> <span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">I</span> <span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">J</span> <span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">K</span> <span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">L</span> <span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">M</span> <span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">N</span> <span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">O</span>
<span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">Int</span> <span class="org-keyword">of</span> int
<span class="org-keyword">exception</span> <span class="org-tuareg-font-lock-constructor">Angular_momentum_error</span> <span class="org-keyword">of</span> string
<span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">kind</span> <span class="org-tuareg-font-lock-operator">=</span>
<span class="org-tuareg-font-lock-constructor">Singlet</span> <span class="org-keyword">of</span> t
<span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">Doublet</span> <span class="org-keyword">of</span> <span class="org-tuareg-font-lock-operator">(</span>t <span class="org-tuareg-font-lock-operator">*</span> t<span class="org-tuareg-font-lock-operator">)</span>
<span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">Triplet</span> <span class="org-keyword">of</span> <span class="org-tuareg-font-lock-operator">(</span>t <span class="org-tuareg-font-lock-operator">*</span> t <span class="org-tuareg-font-lock-operator">*</span> t<span class="org-tuareg-font-lock-operator">)</span>
<span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">Quartet</span> <span class="org-keyword">of</span> <span class="org-tuareg-font-lock-operator">(</span>t <span class="org-tuareg-font-lock-operator">*</span> t <span class="org-tuareg-font-lock-operator">*</span> t <span class="org-tuareg-font-lock-operator">*</span> t<span class="org-tuareg-font-lock-operator">)</span>
</pre>
</div>
<p>
Fix for ocaml 4.14.0
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An exception is raised when the <a href="#org5469fc7"><code>Angular_momentum.t</code></a> element can't
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be created.
</p>
<p>
The <code>kind</code> is used to build shells, shell doublets, triplets or
quartets, use in the two-electron operators.
</p>
</div>
</div>
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<div id="outline-container-orge058b0d" class="outline-3">
<h3 id="orge058b0d"><span class="section-number-3">2.2</span> Conversions</h3>
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<div class="outline-text-3" id="text-2-2">
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_char</span> <span class="org-tuareg-font-lock-operator">:</span> char <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">to_char</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> char
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">to_int</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> int
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_int</span> <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">to_string</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> string
</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>of_char</code></td>
Fix for ocaml 4.14.0
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<td class="org-left">Returns an <a href="#org5469fc7"><code>Angular_momentum.t</code></a> when a shell is given as a character (case insensitive)</td>
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</tr>
<tr>
<td class="org-left"><code>to_char</code></td>
<td class="org-left">Converts the angular momentum into a char</td>
</tr>
<tr>
<td class="org-left"><code>of_int</code></td>
<td class="org-left">Returns a shell given an \(l\) value.</td>
</tr>
<tr>
<td class="org-left"><code>to_int</code></td>
<td class="org-left">Returns the \(l_{max}\) value of the shell</td>
</tr>
<tr>
<td class="org-left"><code>to_string</code></td>
<td class="org-left">Converts the angular momentum into a string</td>
</tr>
</tbody>
</table>
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<p>
Example:
</p>
Fix for ocaml 4.14.0
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<pre class="example" id="org6de493c">
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Angular_momentum.of_char 'p';;
- : Angular_momentum.t = P
Angular_momentum.(to_char P);;
- : char = 'P'
Angular_momentum.of_int 2;;
- : Angular_momentum.t = D
Angular_momentum.(to_int D);;
- : int = 2
Angular_momentum.(to_string D);;
- : string = "D"
</pre>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org636be66" class="outline-3">
<h3 id="org636be66"><span class="section-number-3">2.3</span> Shell functions</h3>
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<div class="outline-text-3" id="text-2-3">
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">n_functions</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> int
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">zkey_array</span> <span class="org-tuareg-font-lock-operator">:</span> kind <span class="org-tuareg-font-lock-operator">-&gt;</span> <span class="org-tuareg-font-lock-module">Zkey.</span>t array
</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>n_functions</code></td>
<td class="org-left">Returns the number of cartesian functions in a shell.</td>
</tr>
<tr>
<td class="org-left"><code>zkey_array</code></td>
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<td class="org-left">Array of <a href="#orgdbccff9"><code>Zkey.t</code></a>, where each element is a a key associated with the the powers of \(x,y,z\).</td>
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</tr>
</tbody>
</table>
Update documentation
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<p>
Example:
</p>
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<pre class="example" id="orgea27ccc">
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Angular_momentum.(n_functions D) ;;
- : int = 6
Angular_momentum.( zkey_array (Doublet (P,S)) );;
- : Zkey.t array =
[|&lt; 01125899906842624 | 1, 0, 0, 0, 0, 0 &gt;;
&lt; 01099511627776 | 0, 1, 0, 0, 0, 0 &gt;;
&lt; 01073741824 | 0, 0, 1, 0, 0, 0 &gt;|]
</pre>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org865ca70" class="outline-3">
<h3 id="org865ca70"><span class="section-number-3">2.4</span> Arithmetic</h3>
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<div class="outline-text-3" id="text-2-4">
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-tuareg-font-lock-operator">(</span> <span class="org-tuareg-font-lock-operator">+</span> <span class="org-tuareg-font-lock-operator">)</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-tuareg-font-lock-operator">(</span> <span class="org-tuareg-font-lock-operator">-</span> <span class="org-tuareg-font-lock-operator">)</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
</pre>
</div>
Update documentation
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<p>
Example:
</p>
Fix for ocaml 4.14.0
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<pre class="example" id="org4da2a50">
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Angular_momentum.(D + P);;
- : Angular_momentum.t = F
Angular_momentum.(F - P);;
- : Angular_momentum.t = D
</pre>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orgb72a342" class="outline-3">
<h3 id="orgb72a342"><span class="section-number-3">2.5</span> Printers</h3>
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<div class="outline-text-3" id="text-2-5">
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<p>
Printers can print as a string (default) or as an integer.
</p>
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pp</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Format.</span>formatter <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pp_string</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Format.</span>formatter <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pp_int</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Format.</span>formatter <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
</pre>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org1661eed" class="outline-3">
<h3 id="org1661eed"><span class="section-number-3">2.6</span> <span class="todo TODO">TODO</span> Tests</h3>
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</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org9038118" class="outline-2">
<h2 id="org9038118"><span class="section-number-2">3</span> Bit string</h2>
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<div class="outline-text-2" id="text-3">
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<p>
We define here a data type to handle bit strings efficiently. When
the bit string contains less than 64 bits, it is stored internally
in a 63-bit integer and uses bitwise instructions. When more than
63 bits are required, the <code>zarith</code> library is used to consider the
bit string as a multi-precision integer.
</p>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org147d32e" class="outline-3">
<h3 id="org147d32e"><span class="section-number-3">3.1</span> Type</h3>
Update documentation
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<div class="outline-text-3" id="text-3-1">
<p>
Fix for ocaml 4.14.0
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<a id="org4f2dfec"><code>Bitstring.t</code></a>
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</p>
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">t</span>
</pre>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orgf3e9618" class="outline-3">
<h3 id="orgf3e9618"><span class="section-number-3">3.2</span> General implementation</h3>
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<div class="outline-text-3" id="text-3-2">
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_int</span> <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_z</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Z.</span>t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">zero</span> <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">is_zero</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> bool
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">numbits</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> int
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">testbit</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> bool
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">neg</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">shift_left</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">shift_right</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">shift_left_one</span> <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">logor</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">logxor</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">logand</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">lognot</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">plus_one</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">minus_one</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">hamdist</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> int
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">trailing_zeros</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> int
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">popcount</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> int
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">to_list</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-label">?accu</span><span class="org-tuareg-font-lock-operator">:(</span>int list<span class="org-tuareg-font-lock-operator">)</span> <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> int list
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">permutations</span> <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> t list
</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>of_int</code></td>
<td class="org-left">Creates a bit string from an <code>int</code></td>
</tr>
<tr>
<td class="org-left"><code>of_z</code></td>
<td class="org-left">Creates a bit string from an <code>Z.t</code> multi-precision integer</td>
</tr>
<tr>
<td class="org-left"><code>zero</code></td>
<td class="org-left"><code>zero n</code> creates a zero bit string with <code>n</code> bits</td>
</tr>
<tr>
<td class="org-left"><code>is_zero</code></td>
<td class="org-left">True if all the bits of the bit string are zero.</td>
</tr>
<tr>
<td class="org-left"><code>numbits</code></td>
<td class="org-left">Returns the number of bits used to represent the bit string</td>
</tr>
<tr>
<td class="org-left"><code>testbit</code></td>
<td class="org-left"><code>testbit t n</code> is true if the <code>n</code>-th bit of the bit string <code>t</code> is set to <code>1</code></td>
</tr>
<tr>
<td class="org-left"><code>neg</code></td>
<td class="org-left">Returns the negative of the integer interpretation of the bit string</td>
</tr>
<tr>
<td class="org-left"><code>shift_left</code></td>
<td class="org-left"><code>shift_left t n</code> returns a new bit strings with all the bits shifted <code>n</code> positions to the left</td>
</tr>
<tr>
<td class="org-left"><code>shift_right</code></td>
<td class="org-left"><code>shift_right t n</code> returns a new bit strings with all the bits shifted <code>n</code> positions to the right</td>
</tr>
<tr>
<td class="org-left"><code>shift_left_one</code></td>
<td class="org-left"><code>shift_left_one size n</code> returns a new bit strings with the <code>n</code>-th bit set to one. It is equivalent as shifting <code>1</code> by <code>n</code> bits to the left, <code>size</code> is the total number of bits of the bit string</td>
</tr>
<tr>
<td class="org-left"><code>logor</code></td>
<td class="org-left">Bitwise logical or</td>
</tr>
<tr>
<td class="org-left"><code>logxor</code></td>
<td class="org-left">Bitwise logical exclusive or</td>
</tr>
<tr>
<td class="org-left"><code>logand</code></td>
<td class="org-left">Bitwise logical and</td>
</tr>
<tr>
<td class="org-left"><code>lognot</code></td>
<td class="org-left">Bitwise logical negation</td>
</tr>
<tr>
<td class="org-left"><code>plus_one</code></td>
<td class="org-left">Takes the integer representation of the bit string and adds one</td>
</tr>
<tr>
<td class="org-left"><code>minus_one</code></td>
<td class="org-left">Takes the integer representation of the bit string and removes one</td>
</tr>
<tr>
<td class="org-left"><code>hamdist</code></td>
<td class="org-left">Returns the Hamming distance, i.e. the number of bits differing between two bit strings</td>
</tr>
<tr>
<td class="org-left"><code>trailing_zeros</code></td>
<td class="org-left">Returns the number of trailing zeros in the bit string</td>
</tr>
<tr>
<td class="org-left"><code>permutations</code></td>
<td class="org-left"><code>permutations m n</code> generates the list of all possible <code>n</code>-bit strings with <code>m</code> bits set to <code>1</code>. Algorithm adapted from <a href="https://graphics.stanford.edu/~seander/bithacks.html#NextBitPermutation">Bit twiddling hacks</a></td>
</tr>
<tr>
<td class="org-left"><code>popcount</code></td>
<td class="org-left">Returns the number of bits set to one in the bit string</td>
</tr>
<tr>
<td class="org-left"><code>to_list</code></td>
<td class="org-left">Converts a bit string into a list of integers indicating the positions where the bits are set to <code>1</code>. The first value for the position is not <code>0</code> but <code>1</code></td>
</tr>
</tbody>
</table>
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<p>
Example:
</p>
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<pre class="example" id="orgd26929a">
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Bitstring.of_int 15;;
- : Bitstring.t =
++++------------------------------------------------------------
</pre>
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<p>
Example:
</p>
Fix for ocaml 4.14.0
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<pre class="example" id="org3523928">
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Bitstring.(shift_left (of_int 15) 2);;
- : Bitstring.t =
--++++----------------------------------------------------------
Bitstring.(shift_right (of_int 15) 2);;
- : Bitstring.t =
++--------------------------------------------------------------
Bitstring.shift_left_one 32 4;;
- : Bitstring.t =
----+-----------------------------------------------------------
Bitstring.(testbit (of_int 15) 3);;
- : bool = true
Bitstring.(testbit (of_int 15) 4);;
- : bool = false
</pre>
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<p>
Example:
</p>
Fix for ocaml 4.14.0
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<pre class="example" id="org449ea0c">
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Bitstring.(logor (of_int 15) (of_int 73));;
- : Bitstring.t =
++++--+---------------------------------------------------------
Bitstring.(logand (of_int 15) (of_int 10));;
- : Bitstring.t =
-+-+------------------------------------------------------------
Bitstring.(logxor (of_int 15) (of_int 73));;
- : Bitstring.t =
-++---+---------------------------------------------------------
</pre>
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<p>
Example:
</p>
Fix for ocaml 4.14.0
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<pre class="example" id="org78bfa35">
MP2 OK
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Bitstring.(plus_one (of_int 15));;
- : Bitstring.t =
----+-----------------------------------------------------------
Bitstring.(minus_one (of_int 15));;
- : Bitstring.t =
-+++------------------------------------------------------------
</pre>
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<p>
Example:
</p>
Fix for ocaml 4.14.0
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<pre class="example" id="org789d3d2">
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Bitstring.(trailing_zeros (of_int 12));;
- : int = 2
Bitstring.(hamdist (of_int 15) (of_int 73));;
- : int = 3
Bitstring.(popcount (of_int 15));;
- : int = 4
</pre>
Update documentation
2021-01-28 00:34:26 +01:00
<p>
Example:
</p>
Fix for ocaml 4.14.0
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<pre class="example" id="org5ecc3a0">
MP2 OK
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Bitstring.(to_list (of_int 45));;
- : int list = [1; 3; 4; 6]
</pre>
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<p>
Example:
</p>
Fix for ocaml 4.14.0
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<pre class="example" id="org5c1eb08">
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Bitstring.permutations 2 4;;
- : Bitstring.t list =
[++--------------------------------------------------------------;
+-+-------------------------------------------------------------;
-++-------------------------------------------------------------;
+--+------------------------------------------------------------;
-+-+------------------------------------------------------------;
--++------------------------------------------------------------]
</pre>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org8c1b380" class="outline-3">
<h3 id="org8c1b380"><span class="section-number-3">3.3</span> Printers</h3>
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<div class="outline-text-3" id="text-3-3">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pp</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Format.</span>formatter <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
</pre>
</div>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orga411a46" class="outline-2">
<h2 id="orga411a46"><span class="section-number-2">4</span> Charge</h2>
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<div class="outline-text-2" id="text-4">
MP2 OK
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</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orge9340ef" class="outline-3">
<h3 id="orge9340ef"><span class="section-number-3">4.1</span> Type</h3>
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<div class="outline-text-3" id="text-4-1">
<p>
Fix for ocaml 4.14.0
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<a id="org8f32d61"><code>Charge.t</code></a>
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</p>
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">t</span>
</pre>
</div>
<p>
This type should be used for all charges in the program (electrons, nuclei,&#x2026;).
</p>
</div>
</div>
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<div id="outline-container-org5ac1c65" class="outline-3">
<h3 id="org5ac1c65"><span class="section-number-3">4.2</span> Conversions</h3>
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<div class="outline-text-3" id="text-4-2">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_float</span> <span class="org-tuareg-font-lock-operator">:</span> float <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">to_float</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_int</span> <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">to_int</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> int
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_string</span><span class="org-tuareg-font-lock-operator">:</span> string <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">to_string</span><span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> string
</pre>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org88efaa8" class="outline-3">
<h3 id="org88efaa8"><span class="section-number-3">4.3</span> Simple operations</h3>
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<div class="outline-text-3" id="text-4-3">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-tuareg-font-lock-operator">(</span> <span class="org-tuareg-font-lock-operator">+</span> <span class="org-tuareg-font-lock-operator">)</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-tuareg-font-lock-operator">(</span> <span class="org-tuareg-font-lock-operator">-</span> <span class="org-tuareg-font-lock-operator">)</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-tuareg-font-lock-operator">(</span> <span class="org-tuareg-font-lock-operator">*</span> <span class="org-tuareg-font-lock-operator">)</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> float <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-tuareg-font-lock-operator">(</span> <span class="org-tuareg-font-lock-operator">/</span> <span class="org-tuareg-font-lock-operator">)</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> float <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">is_null</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> bool
</pre>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org1a7f5fd" class="outline-3">
<h3 id="org1a7f5fd"><span class="section-number-3">4.4</span> Printers</h3>
Update documentation
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<div class="outline-text-3" id="text-4-4">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pp</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Format.</span>formatter <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
</pre>
</div>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orgb0eff41" class="outline-2">
<h2 id="orgb0eff41"><span class="section-number-2">5</span> Command line</h2>
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<div class="outline-text-2" id="text-5">
MP2 OK
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<p>
This module is a wrapper around the <code>Getopt</code> library and helps to
define command-line arguments.
</p>
<p>
Here is an example of how to use this module.
First, define the specification:
</p>
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">let</span> <span class="org-tuareg-font-lock-governing">open </span><span class="org-tuareg-font-lock-module">Command_line</span> <span class="org-tuareg-font-lock-governing">in</span>
<span class="org-tuareg-font-lock-governing">begin</span>
set_header_doc <span class="org-tuareg-font-lock-operator">(</span><span class="org-tuareg-font-lock-module">Sys.</span>argv.<span class="org-tuareg-font-lock-operator">(</span>0<span class="org-tuareg-font-lock-operator">)</span> <span class="org-tuareg-font-lock-operator">^</span> <span class="org-string">" - One-line description"</span><span class="org-tuareg-font-lock-operator">);</span>
set_description_doc <span class="org-string">"Long description of the command."</span><span class="org-tuareg-font-lock-operator">;</span>
set_specs
<span class="org-tuareg-font-lock-operator">[</span> <span class="org-tuareg-font-lock-operator">{</span> short<span class="org-tuareg-font-lock-operator">=</span><span class="org-string">'c'</span><span class="org-tuareg-font-lock-operator">;</span> long<span class="org-tuareg-font-lock-operator">=</span><span class="org-string">"check"</span><span class="org-tuareg-font-lock-operator">;</span> opt<span class="org-tuareg-font-lock-operator">=</span><span class="org-tuareg-font-lock-constructor">Optional</span><span class="org-tuareg-font-lock-operator">;</span>
doc<span class="org-tuareg-font-lock-operator">=</span><span class="org-string">"Checks the input data"</span><span class="org-tuareg-font-lock-operator">;</span>
arg<span class="org-tuareg-font-lock-operator">=</span><span class="org-tuareg-font-lock-constructor">Without_arg</span><span class="org-tuareg-font-lock-operator">;</span> <span class="org-tuareg-font-lock-operator">};</span>
<span class="org-tuareg-font-lock-operator">{</span> short<span class="org-tuareg-font-lock-operator">=</span><span class="org-string">'b'</span> <span class="org-tuareg-font-lock-operator">;</span> long<span class="org-tuareg-font-lock-operator">=</span><span class="org-string">"basis"</span> <span class="org-tuareg-font-lock-operator">;</span> opt<span class="org-tuareg-font-lock-operator">=</span><span class="org-tuareg-font-lock-constructor">Mandatory</span><span class="org-tuareg-font-lock-operator">;</span>
arg<span class="org-tuareg-font-lock-operator">=</span><span class="org-tuareg-font-lock-constructor">With_arg</span> <span class="org-string">"&lt;string&gt;"</span><span class="org-tuareg-font-lock-operator">;</span>
doc<span class="org-tuareg-font-lock-operator">=</span><span class="org-string">"Name of the file containing the basis set"</span><span class="org-tuareg-font-lock-operator">;</span> <span class="org-tuareg-font-lock-operator">}</span> <span class="org-tuareg-font-lock-operator">;</span>
<span class="org-tuareg-font-lock-operator">{</span> short<span class="org-tuareg-font-lock-operator">=</span><span class="org-string">'m'</span> <span class="org-tuareg-font-lock-operator">;</span> long<span class="org-tuareg-font-lock-operator">=</span><span class="org-string">"multiplicity"</span> <span class="org-tuareg-font-lock-operator">;</span> opt<span class="org-tuareg-font-lock-operator">=</span><span class="org-tuareg-font-lock-constructor">Optional</span><span class="org-tuareg-font-lock-operator">;</span>
arg<span class="org-tuareg-font-lock-operator">=</span><span class="org-tuareg-font-lock-constructor">With_arg</span> <span class="org-string">"&lt;int&gt;"</span><span class="org-tuareg-font-lock-operator">;</span>
doc<span class="org-tuareg-font-lock-operator">=</span><span class="org-string">"Spin multiplicity (2S+1). Default is singlet"</span><span class="org-tuareg-font-lock-operator">;</span> <span class="org-tuareg-font-lock-operator">}</span> <span class="org-tuareg-font-lock-operator">;</span>
<span class="org-tuareg-font-lock-operator">]</span>
<span class="org-tuareg-font-lock-governing">end</span><span class="org-tuareg-font-lock-operator">;</span>
</pre>
</div>
<p>
Then, define what to do with the arguments:
</p>
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">let</span> <span class="org-variable-name">c</span> <span class="org-tuareg-font-lock-operator">=</span>
<span class="org-tuareg-font-lock-module">Command_line.</span>get_bool <span class="org-string">"check"</span>
<span class="org-tuareg-font-lock-governing">in</span>
<span class="org-tuareg-font-lock-governing">let</span> <span class="org-variable-name">basis</span> <span class="org-tuareg-font-lock-operator">=</span>
<span class="org-keyword">match</span> <span class="org-tuareg-font-lock-module">Command_line.</span>get <span class="org-string">"basis"</span> <span class="org-keyword">with</span>
<span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">Some</span> x <span class="org-tuareg-font-lock-operator">-&gt;</span> x
<span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">None</span> <span class="org-tuareg-font-lock-operator">-&gt;</span> <span class="org-keyword">assert</span> <span class="org-constant">false</span>
<span class="org-tuareg-font-lock-governing">in</span>
<span class="org-tuareg-font-lock-governing">let</span> <span class="org-variable-name">multiplicity</span> <span class="org-tuareg-font-lock-operator">=</span>
<span class="org-keyword">match</span> <span class="org-tuareg-font-lock-module">Command_line.</span>get <span class="org-string">"multiplicity"</span> <span class="org-keyword">with</span>
<span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">None</span> <span class="org-tuareg-font-lock-operator">-&gt;</span> 1
<span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">Some</span> n <span class="org-tuareg-font-lock-operator">-&gt;</span> int_of_string n
<span class="org-tuareg-font-lock-governing">in</span>
</pre>
</div>
</div>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<div id="outline-container-org9ed765d" class="outline-3">
<h3 id="org9ed765d"><span class="section-number-3">5.1</span> Types</h3>
Update documentation
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<div class="outline-text-3" id="text-5-1">
MP2 OK
2021-01-01 16:39:33 +01:00
<div class="org-src-container">
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<pre class="src src-ocaml" id="org4782b39"><span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">short_opt</span> <span class="org-tuareg-font-lock-operator">=</span> char
MP2 OK
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<span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">long_opt</span> <span class="org-tuareg-font-lock-operator">=</span> string
<span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">optional</span> <span class="org-tuareg-font-lock-operator">=</span> <span class="org-tuareg-font-lock-constructor">Mandatory</span> <span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">Optional</span>
<span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">documentation</span> <span class="org-tuareg-font-lock-operator">=</span> string
Update documentation
2021-01-28 00:34:26 +01:00
<span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">argument</span> <span class="org-tuareg-font-lock-operator">=</span> <span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">With_arg</span> <span class="org-keyword">of</span> string
<span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">Without_arg</span>
<span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">With_opt_arg</span> <span class="org-keyword">of</span> string
MP2 OK
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<span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">description</span> <span class="org-tuareg-font-lock-operator">=</span> <span class="org-tuareg-font-lock-operator">{</span>
short<span class="org-tuareg-font-lock-operator">:</span> short_opt <span class="org-tuareg-font-lock-operator">;</span>
long <span class="org-tuareg-font-lock-operator">:</span> long_opt <span class="org-tuareg-font-lock-operator">;</span>
opt <span class="org-tuareg-font-lock-operator">:</span> optional <span class="org-tuareg-font-lock-operator">;</span>
doc <span class="org-tuareg-font-lock-operator">:</span> documentation <span class="org-tuareg-font-lock-operator">;</span>
arg <span class="org-tuareg-font-lock-operator">:</span> argument <span class="org-tuareg-font-lock-operator">;</span>
<span class="org-tuareg-font-lock-operator">}</span>
</pre>
</div>
<ul class="org-ul">
Fix for ocaml 4.14.0
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<li><a id="orgca29657">Short option</a>: in the command line, a dash with a single character
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(ex: <code>ls -l</code>)</li>
Fix for ocaml 4.14.0
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<li><a id="org1630cd8">Long option</a>: in the command line, two dashes with a word
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(ex: <code>ls --directory</code>)</li>
<li>Command-line options can be <code>Mandatory</code> or <code>Optional</code></li>
<li>Documentation of the option is used in the help function</li>
<li>Some options require an argument (<code>ls --ignore="*.ml"</code> ), some
don't (<code>ls -l</code>) and for some arguments the argument is optional
(<code>git --log[=&lt;n&gt;]</code>)</li>
</ul>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org0f36775" class="outline-3">
<h3 id="org0f36775"><span class="section-number-3">5.2</span> Mutable attributes</h3>
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<div class="outline-text-3" id="text-5-2">
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<p>
All the options are stored in the hash table <code>dict</code> where the key
Fix for ocaml 4.14.0
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is the <a href="#org1630cd8">long option</a> and the value is a value of type <code>description</code>.
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</p>
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">set_header_doc</span> <span class="org-tuareg-font-lock-operator">:</span> string <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">set_description_doc</span> <span class="org-tuareg-font-lock-operator">:</span> string <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">set_footer_doc</span> <span class="org-tuareg-font-lock-operator">:</span> string <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
</pre>
</div>
<p>
Functions to set the header, footer and main description of the
documentation provided by the <code>help</code> function:
</p>
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">anonymous</span> <span class="org-tuareg-font-lock-operator">:</span> long_opt <span class="org-tuareg-font-lock-operator">-&gt;</span> optional <span class="org-tuareg-font-lock-operator">-&gt;</span> documentation <span class="org-tuareg-font-lock-operator">-&gt;</span> description
</pre>
</div>
<p>
Function to create an anonymous argument.
</p>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org0cd377f" class="outline-3">
<h3 id="org0cd377f"><span class="section-number-3">5.3</span> Query functions</h3>
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<div class="outline-text-3" id="text-5-3">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">get</span> <span class="org-tuareg-font-lock-operator">:</span> long_opt <span class="org-tuareg-font-lock-operator">-&gt;</span> string option
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">get_bool</span> <span class="org-tuareg-font-lock-operator">:</span> long_opt <span class="org-tuareg-font-lock-operator">-&gt;</span> bool
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">anon_args</span> <span class="org-tuareg-font-lock-operator">:</span> unit <span class="org-tuareg-font-lock-operator">-&gt;</span> string list
</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>get</code></td>
Fix for ocaml 4.14.0
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<td class="org-left">Returns the argument associated with a <a href="#org1630cd8">long option</a></td>
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</tr>
<tr>
<td class="org-left"><code>get_bool</code></td>
<td class="org-left">True if the <code>Optional</code> argument is present in the command-line</td>
</tr>
<tr>
<td class="org-left"><code>anon_args</code></td>
<td class="org-left">Returns the list of anonymous arguments</td>
</tr>
</tbody>
</table>
</div>
</div>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<div id="outline-container-orgcddd8db" class="outline-3">
<h3 id="orgcddd8db"><span class="section-number-3">5.4</span> Specification</h3>
Update documentation
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<div class="outline-text-3" id="text-5-4">
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">set_specs</span> <span class="org-tuareg-font-lock-operator">:</span> description list <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
</pre>
</div>
<p>
Sets the specifications of the current program from a list of
<code>descrption</code> variables.
</p>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org7a00c30" class="outline-2">
<h2 id="org7a00c30"><span class="section-number-2">6</span> Constants</h2>
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<div class="outline-text-2" id="text-6">
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<p>
All constants used in the program.
</p>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org72c17d4" class="outline-3">
<h3 id="org72c17d4"><span class="section-number-3">6.1</span> Thresholds</h3>
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<div class="outline-text-3" id="text-6-1">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">epsilon</span> <span class="org-tuareg-font-lock-operator">:</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">integrals_cutoff</span> <span class="org-tuareg-font-lock-operator">:</span> float
</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>epsilon</code></td>
<td class="org-left">Value below which a float is considered null. Default is &epsilon; = 2.10<sup>-15</sup></td>
</tr>
<tr>
<td class="org-left"><code>integrals_cutoff</code></td>
<td class="org-left">Cutoff value for integrals. Default is &epsilon;</td>
</tr>
</tbody>
</table>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org7bb5f48" class="outline-3">
<h3 id="org7bb5f48"><span class="section-number-3">6.2</span> Mathematical constants</h3>
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<div class="outline-text-3" id="text-6-2">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pi</span> <span class="org-tuareg-font-lock-operator">:</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">two_pi</span> <span class="org-tuareg-font-lock-operator">:</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">sq_pi</span> <span class="org-tuareg-font-lock-operator">:</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">sq_pi_over_two</span> <span class="org-tuareg-font-lock-operator">:</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pi_inv</span> <span class="org-tuareg-font-lock-operator">:</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">two_over_sq_pi</span> <span class="org-tuareg-font-lock-operator">:</span> float
</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>pi</code></td>
<td class="org-left">\(\pi = 3.141~592~653~589~793~12\)</td>
</tr>
<tr>
<td class="org-left"><code>two_pi</code></td>
<td class="org-left">\(2 \pi\)</td>
</tr>
<tr>
<td class="org-left"><code>sq_pi</code></td>
<td class="org-left">\(\sqrt{\pi}\)</td>
</tr>
<tr>
<td class="org-left"><code>sq_pi_over_two</code></td>
<td class="org-left">\(\sqrt{\pi} / 2\)</td>
</tr>
<tr>
<td class="org-left"><code>pi_inv</code></td>
<td class="org-left">\(1 / \pi\)</td>
</tr>
<tr>
<td class="org-left"><code>two_over_sq_pi</code></td>
<td class="org-left">\(2 / \sqrt{\pi}\)</td>
</tr>
</tbody>
</table>
</div>
</div>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<div id="outline-container-org1cb4cd0" class="outline-3">
<h3 id="org1cb4cd0"><span class="section-number-3">6.3</span> Physical constants</h3>
Update documentation
2021-01-28 00:34:26 +01:00
<div class="outline-text-3" id="text-6-3">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">a0</span> <span class="org-tuareg-font-lock-operator">:</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">a0_inv</span> <span class="org-tuareg-font-lock-operator">:</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">ha_to_ev</span> <span class="org-tuareg-font-lock-operator">:</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">ev_to_ha</span> <span class="org-tuareg-font-lock-operator">:</span> float
</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>a0</code></td>
<td class="org-left">Bohr's radius : \(a_0 = 0.529~177~210~67(23)\) angstrom</td>
</tr>
<tr>
<td class="org-left"><code>a0_inv</code></td>
<td class="org-left">\(1 / a_0\)</td>
</tr>
<tr>
<td class="org-left"><code>ha_to_ev</code></td>
<td class="org-left">Hartree to eV conversion factor : \(27.211~386~02(17)\)</td>
</tr>
<tr>
<td class="org-left"><code>ev_to_ha</code></td>
<td class="org-left">eV to Hartree conversion factor : 1 / <code>ha_to_ev</code></td>
</tr>
</tbody>
</table>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orga8316de" class="outline-2">
<h2 id="orga8316de"><span class="section-number-2">7</span> Coordinate</h2>
Update documentation
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<div class="outline-text-2" id="text-7">
MP2 OK
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<p>
Coordinates in 3D space.
</p>
<p>
All operations on points are done in atomic units. Therefore,
all coordinates are given in bohr and manipulated with this
module.
</p>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org79a102d" class="outline-3">
<h3 id="org79a102d"><span class="section-number-3">7.1</span> Type</h3>
Update documentation
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<div class="outline-text-3" id="text-7-1">
<p>
Fix for ocaml 4.14.0
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<a id="orgb45b46d"><code>Coordinate.t</code></a>
Update documentation
2021-01-28 00:34:26 +01:00
</p>
MP2 OK
2021-01-01 16:39:33 +01:00
<div class="org-src-container">
Fix for ocaml 4.14.0
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<pre class="src src-ocaml" id="orgfd07644"><span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">bohr</span>
MP2 OK
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<span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">angstrom</span>
<span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">xyz</span> <span class="org-tuareg-font-lock-operator">=</span> <span class="org-tuareg-font-lock-operator">{</span>
x <span class="org-tuareg-font-lock-operator">:</span> float <span class="org-tuareg-font-lock-operator">;</span>
y <span class="org-tuareg-font-lock-operator">:</span> float <span class="org-tuareg-font-lock-operator">;</span>
z <span class="org-tuareg-font-lock-operator">:</span> float <span class="org-tuareg-font-lock-operator">;</span>
<span class="org-tuareg-font-lock-operator">}</span>
<span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">'a point</span> <span class="org-tuareg-font-lock-operator">=</span> xyz
<span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">t</span> <span class="org-tuareg-font-lock-operator">=</span> bohr point
<span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">axis</span> <span class="org-tuareg-font-lock-operator">=</span> <span class="org-tuareg-font-lock-constructor">X</span> <span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">Y</span> <span class="org-tuareg-font-lock-operator">|</span> Z
</pre>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orgb63620c" class="outline-3">
<h3 id="orgb63620c"><span class="section-number-3">7.2</span> Creation</h3>
Update documentation
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<div class="outline-text-3" id="text-7-2">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">make</span> <span class="org-tuareg-font-lock-operator">:</span> 'a point <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">make_angstrom</span> <span class="org-tuareg-font-lock-operator">:</span> 'a point <span class="org-tuareg-font-lock-operator">-&gt;</span> angstrom point
Update documentation
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<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">zero</span> <span class="org-tuareg-font-lock-operator">:</span> bohr point
MP2 OK
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</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>make</code></td>
<td class="org-left">Creates a point in atomic units</td>
</tr>
<tr>
<td class="org-left"><code>make_angstrom</code></td>
<td class="org-left">Creates a point in angstrom</td>
</tr>
<tr>
<td class="org-left"><code>zero</code></td>
<td class="org-left">\((0., 0., 0.)\)</td>
</tr>
</tbody>
</table>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orgc046d38" class="outline-3">
<h3 id="orgc046d38"><span class="section-number-3">7.3</span> Conversion</h3>
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<div class="outline-text-3" id="text-7-3">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">bohr_to_angstrom</span> <span class="org-tuareg-font-lock-operator">:</span> bohr point <span class="org-tuareg-font-lock-operator">-&gt;</span> angstrom point
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">angstrom_to_bohr</span> <span class="org-tuareg-font-lock-operator">:</span> angstrom point <span class="org-tuareg-font-lock-operator">-&gt;</span> bohr point
</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>bohr_to_angstrom</code></td>
<td class="org-left">Converts a point in bohr to angstrom</td>
</tr>
<tr>
<td class="org-left"><code>angstrom_to_bohr</code></td>
<td class="org-left">Converts a point in angstrom to bohr</td>
</tr>
</tbody>
</table>
</div>
</div>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<div id="outline-container-orgc5901cd" class="outline-3">
<h3 id="orgc5901cd"><span class="section-number-3">7.4</span> Vector operations</h3>
Update documentation
2021-01-28 00:34:26 +01:00
<div class="outline-text-3" id="text-7-4">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">neg</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">get</span> <span class="org-tuareg-font-lock-operator">:</span> axis <span class="org-tuareg-font-lock-operator">-&gt;</span> bohr point <span class="org-tuareg-font-lock-operator">-&gt;</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">dot</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">norm</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-tuareg-font-lock-operator">(</span> <span class="org-tuareg-font-lock-operator">|</span>. <span class="org-tuareg-font-lock-operator">)</span> <span class="org-tuareg-font-lock-operator">:</span> float <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-tuareg-font-lock-operator">(</span> <span class="org-tuareg-font-lock-operator">|+</span> <span class="org-tuareg-font-lock-operator">)</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-tuareg-font-lock-operator">(</span> <span class="org-tuareg-font-lock-operator">|-</span> <span class="org-tuareg-font-lock-operator">)</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>neg</code></td>
<td class="org-left">Negative of a point</td>
</tr>
<tr>
<td class="org-left"><code>get</code></td>
<td class="org-left">Extracts the projection of the coordinate on an axis</td>
</tr>
<tr>
<td class="org-left"><code>dot</code></td>
<td class="org-left">Dot product</td>
</tr>
<tr>
<td class="org-left"><code>norm</code></td>
<td class="org-left">\(\ell{^2}\) norm of the vector</td>
</tr>
<tr>
Update documentation
2021-01-28 00:34:26 +01:00
<td class="org-left">$&vert; .$</td>
MP2 OK
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<td class="org-left">Scales the vector by a constant</td>
</tr>
<tr>
Update documentation
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<td class="org-left">\(\vert +\)</td>
MP2 OK
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<td class="org-left">Adds two vectors</td>
</tr>
<tr>
Update documentation
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<td class="org-left">\(\vert -\)</td>
MP2 OK
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<td class="org-left">Subtracts two vectors</td>
</tr>
</tbody>
</table>
Update documentation
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<p>
Example:
</p>
Fix for ocaml 4.14.0
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<pre class="example" id="org757a044">
MP2 OK
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Coordinate.neg { x=1. ; y=2. ; z=3. } ;;
- : Coordinate.t = -1.0000 -2.0000 -3.0000
Coordinate.(get Y { x=1. ; y=2. ; z=3. }) ;;
- : float = 2.
Coordinate.(
2. |. { x=1. ; y=2. ; z=3. }
) ;;
- : Coordinate.t = 2.0000 4.0000 6.0000
Coordinate.(
{ x=1. ; y=2. ; z=3. } |+ { x=2. ; y=3. ; z=1. }
);;
- : Coordinate.t = 3.0000 5.0000 4.0000
Coordinate.(
{ x=1. ; y=2. ; z=3. } |- { x=2. ; y=3. ; z=1. }
);;
- : Coordinate.t = -1.0000 -1.0000 2.0000
</pre>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orge4e8f09" class="outline-3">
<h3 id="orge4e8f09"><span class="section-number-3">7.5</span> Printers</h3>
Update documentation
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<div class="outline-text-3" id="text-7-5">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pp</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Format.</span>formatter <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pp_bohr</span><span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Format.</span>formatter <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pp_angstrom</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Format.</span>formatter <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
</pre>
</div>
<p>
Coordinates can be printed in bohr or angstrom.
</p>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org24b2513" class="outline-2">
<h2 id="org24b2513"><span class="section-number-2">8</span> Non-negative float</h2>
Update documentation
2021-01-28 00:34:26 +01:00
<div class="outline-text-2" id="text-8">
MP2 OK
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</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org42a50d8" class="outline-3">
<h3 id="org42a50d8"><span class="section-number-3">8.1</span> Type</h3>
Update documentation
2021-01-28 00:34:26 +01:00
<div class="outline-text-3" id="text-8-1">
<p>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
&lt;<a id="org9ce9188"></a>
Update documentation
2021-01-28 00:34:26 +01:00
</p>
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">t</span> <span class="org-tuareg-font-lock-operator">=</span> <span class="org-keyword">private</span> float
</pre>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org67cedc0" class="outline-3">
<h3 id="org67cedc0"><span class="section-number-3">8.2</span> Conversions</h3>
Update documentation
2021-01-28 00:34:26 +01:00
<div class="outline-text-3" id="text-8-2">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_float</span> <span class="org-tuareg-font-lock-operator">:</span> float <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">unsafe_of_float</span> <span class="org-tuareg-font-lock-operator">:</span> float <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">to_float</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_string</span> <span class="org-tuareg-font-lock-operator">:</span> string <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">to_string</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> string
</pre>
</div>
<p>
The <code>of_float</code> function checks that the float is non-negative.
The unsafe variant doesn't do this check.
</p>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org4e3bb08" class="outline-2">
<h2 id="org4e3bb08"><span class="section-number-2">9</span> Powers</h2>
Update documentation
2021-01-28 00:34:26 +01:00
<div class="outline-text-2" id="text-9">
MP2 OK
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<p>
Update documentation
2021-01-28 00:34:26 +01:00
Contains powers of \(x\), \(y\) and \(z\) describing the polynomials in atomic basis sets.
MP2 OK
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</p>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orgaec5dbf" class="outline-3">
<h3 id="orgaec5dbf"><span class="section-number-3">9.1</span> Type</h3>
Update documentation
2021-01-28 00:34:26 +01:00
<div class="outline-text-3" id="text-9-1">
<p>
Fix for ocaml 4.14.0
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<a id="org63557b0"><code>Powers.t</code></a>
Update documentation
2021-01-28 00:34:26 +01:00
</p>
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">t</span> <span class="org-tuareg-font-lock-operator">=</span> <span class="org-keyword">private</span> <span class="org-tuareg-font-lock-operator">{</span>
x <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">;</span>
y <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">;</span>
z <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">;</span>
Update documentation
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tot <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">;</span>
MP2 OK
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<span class="org-tuareg-font-lock-operator">}</span>
</pre>
</div>
<p>
<code>tot</code> always contains <code>x+y+z</code>.
</p>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org9e37049" class="outline-3">
<h3 id="org9e37049"><span class="section-number-3">9.2</span> Conversions</h3>
Update documentation
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<div class="outline-text-3" id="text-9-2">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_int_tuple</span> <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">*</span> int <span class="org-tuareg-font-lock-operator">*</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> t
Update documentation
2021-01-28 00:34:26 +01:00
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">to_int_tuple</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> int <span class="org-tuareg-font-lock-operator">*</span> int <span class="org-tuareg-font-lock-operator">*</span> int
MP2 OK
2021-01-01 16:39:33 +01:00
</pre>
</div>
Update documentation
2021-01-28 00:34:26 +01:00
<p>
Example:
</p>
Fix for ocaml 4.14.0
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<pre class="example" id="orgd2df149">
MP2 OK
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Powers.of_int_tuple (2,3,1);;
- : Powers.t = x^2 + y^3 + z^1
Powers.(to_int_tuple (of_int_tuple (2,3,1)));;
- : int * int * int = (2, 3, 1)
</pre>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org61e930e" class="outline-3">
<h3 id="org61e930e"><span class="section-number-3">9.3</span> Operations</h3>
Update documentation
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<div class="outline-text-3" id="text-9-3">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">get</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Coordinate.</span>axis <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> int
Update documentation
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<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">incr</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Coordinate.</span>axis <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
MP2 OK
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<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">decr</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Coordinate.</span>axis <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>get</code></td>
<td class="org-left">Returns the value of the power for \(x\), \(y\) or \(z\)</td>
</tr>
<tr>
<td class="org-left"><code>incr</code></td>
Fix for ocaml 4.14.0
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<td class="org-left">Returns a new <a href="#org63557b0"><code>Powers.t</code></a> with the power on the given axis incremented</td>
MP2 OK
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</tr>
<tr>
<td class="org-left"><code>decr</code></td>
Fix for ocaml 4.14.0
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<td class="org-left">Returns a new <a href="#org63557b0"><code>Powers.t</code></a> with the power on the given axis decremented. As opposed to <code>of_int_tuple</code>, the values may become negative</td>
MP2 OK
2021-01-01 16:39:33 +01:00
</tr>
</tbody>
</table>
Update documentation
2021-01-28 00:34:26 +01:00
<p>
Example:
</p>
Fix for ocaml 4.14.0
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<pre class="example" id="orge0fbf1d">
MP2 OK
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Powers.get Coordinate.Y (Powers.of_int_tuple (2,3,1));;
- : int = 3
Powers.incr Coordinate.Y (Powers.of_int_tuple (2,3,1));;
- : Powers.t = x^2 + y^4 + z^1
Powers.decr Coordinate.Y (Powers.of_int_tuple (2,3,1));;
- : Powers.t = x^2 + y^2 + z^1
</pre>
</div>
</div>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<div id="outline-container-org03797cd" class="outline-3">
<h3 id="org03797cd"><span class="section-number-3">9.4</span> Printers</h3>
Update documentation
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<div class="outline-text-3" id="text-9-4">
MP2 OK
2021-01-01 16:39:33 +01:00
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pp</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Format.</span>formatter <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
</pre>
</div>
</div>
</div>
</div>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<div id="outline-container-orgdf7c5f6" class="outline-2">
<h2 id="orgdf7c5f6"><span class="section-number-2">10</span> QCaml</h2>
Update documentation
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<div class="outline-text-2" id="text-10">
MP2 OK
2021-01-01 16:39:33 +01:00
<p>
QCaml-specific parameters
</p>
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">root</span> <span class="org-tuareg-font-lock-operator">:</span> string
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">name</span> <span class="org-tuareg-font-lock-operator">:</span> string
</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>root</code></td>
<td class="org-left">Path to the QCaml source directory</td>
</tr>
<tr>
<td class="org-left"><code>name</code></td>
<td class="org-left"><code>"QCaml"</code></td>
</tr>
</tbody>
</table>
</div>
</div>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<div id="outline-container-org6adfb62" class="outline-2">
<h2 id="org6adfb62"><span class="section-number-2">11</span> Range</h2>
Update documentation
2021-01-28 00:34:26 +01:00
<div class="outline-text-2" id="text-11">
MP2 OK
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<p>
A range is a sorted list of integers in an interval.
</p>
<ul class="org-ul">
<li><code>"[a-b]"</code> : range between a and b (included)</li>
<li><code>"[a]"</code> : the list with only one integer a</li>
<li><code>"a"</code> : equivalent to "[a]"</li>
<li><code>"[36-53,72-107,126-131]"</code> represents the list of integers
[ 37 ; 37 ; 38 ; &#x2026; ; 52 ; 53 ; 72 ; 73 ; &#x2026; ; 106 ; 107 ; 126 ; 127 ; &#x2026; ; 130 ; 131 ].</li>
</ul>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org42226d0" class="outline-3">
<h3 id="org42226d0"><span class="section-number-3">11.1</span> Type</h3>
Update documentation
2021-01-28 00:34:26 +01:00
<div class="outline-text-3" id="text-11-1">
<p>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<a id="org36a2099"><code>Range.t</code></a>
Update documentation
2021-01-28 00:34:26 +01:00
</p>
MP2 OK
2021-01-01 16:39:33 +01:00
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">t</span>
</pre>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org1a7eb11" class="outline-3">
<h3 id="org1a7eb11"><span class="section-number-3">11.2</span> Conversion</h3>
Update documentation
2021-01-28 00:34:26 +01:00
<div class="outline-text-3" id="text-11-2">
MP2 OK
2021-01-01 16:39:33 +01:00
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_string</span> <span class="org-tuareg-font-lock-operator">:</span> string <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">to_string</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> string
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">to_int_list</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> int list
</pre>
</div>
</div>
</div>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<div id="outline-container-org2e1c235" class="outline-3">
<h3 id="org2e1c235"><span class="section-number-3">11.3</span> Printers</h3>
Update documentation
2021-01-28 00:34:26 +01:00
<div class="outline-text-3" id="text-11-3">
MP2 OK
2021-01-01 16:39:33 +01:00
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pp</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Format.</span>formatter <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
</pre>
</div>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orgf39e0c5" class="outline-2">
<h2 id="orgf39e0c5"><span class="section-number-2">12</span> Spin</h2>
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<div class="outline-text-2" id="text-12">
MP2 OK
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<p>
Electron spin
</p>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org9a3412b" class="outline-3">
<h3 id="org9a3412b"><span class="section-number-3">12.1</span> Type</h3>
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<div class="outline-text-3" id="text-12-1">
<p>
Fix for ocaml 4.14.0
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<a id="org88f5eb3"><code>Spin.t</code></a>
Update documentation
2021-01-28 00:34:26 +01:00
</p>
MP2 OK
2021-01-01 16:39:33 +01:00
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">t</span> <span class="org-tuareg-font-lock-operator">=</span> <span class="org-tuareg-font-lock-constructor">Alfa</span> <span class="org-tuareg-font-lock-operator">|</span> Beta
</pre>
</div>
<p>
Note :
<code>Alfa</code> if written with an 'f' instead of 'ph' because it has the same number of
letters as <code>Beta</code>, so the alignment of the code is nicer.
</p>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orga211269" class="outline-3">
<h3 id="orga211269"><span class="section-number-3">12.2</span> Functions</h3>
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<div class="outline-text-3" id="text-12-2">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">other</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
</pre>
</div>
<p>
Returns the opposite spin
</p>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orgd45254f" class="outline-3">
<h3 id="orgd45254f"><span class="section-number-3">12.3</span> Printers</h3>
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<div class="outline-text-3" id="text-12-3">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pp</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Format.</span>formatter <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
</pre>
</div>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org112760f" class="outline-2">
<h2 id="org112760f"><span class="section-number-2">13</span> Util</h2>
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<div class="outline-text-2" id="text-13">
MP2 OK
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<p>
Utility functions.
</p>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orga9dd15f" class="outline-3">
<h3 id="orga9dd15f"><span class="section-number-3">13.1</span> External C functions</h3>
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<div class="outline-text-3" id="text-13-1">
MP2 OK
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<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>erf_float</code></td>
<td class="org-left">Error function <code>erf</code> from <code>libm</code></td>
</tr>
<tr>
<td class="org-left"><code>erfc_float</code></td>
<td class="org-left">Complementary error function <code>erfc</code> from <code>libm</code></td>
</tr>
<tr>
<td class="org-left"><code>gamma_float</code></td>
<td class="org-left">Gamma function <code>gamma</code> from <code>libm</code></td>
</tr>
<tr>
<td class="org-left"><code>popcnt</code></td>
<td class="org-left"><code>popcnt</code> instruction</td>
</tr>
<tr>
<td class="org-left"><code>trailz</code></td>
<td class="org-left"><code>ctz</code> instruction</td>
</tr>
<tr>
<td class="org-left"><code>leadz</code></td>
<td class="org-left"><code>bsf</code> instruction</td>
</tr>
</tbody>
</table>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orgffe658e" class="outline-4">
<h4 id="orgffe658e"><span class="section-number-4">13.1.1</span> Erf</h4>
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<div class="outline-text-4" id="text-13-1-1">
MP2 OK
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<div class="org-src-container">
Update documentation
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<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">external</span> <span class="org-function-name">erf_float</span> <span class="org-tuareg-font-lock-operator">:</span> float <span class="org-tuareg-font-lock-operator">-&gt;</span> float
<span class="org-tuareg-font-lock-operator">=</span> <span class="org-string">"erf_float_bytecode"</span> <span class="org-string">"erf_float"</span> <span class="org-tuareg-font-lock-attribute">[@@unboxed]</span> <span class="org-tuareg-font-lock-attribute">[@@noalloc]</span>
MP2 OK
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</pre>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org9b6fec1" class="outline-4">
<h4 id="org9b6fec1"><span class="section-number-4">13.1.2</span> Erfc</h4>
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<div class="outline-text-4" id="text-13-1-2">
MP2 OK
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<div class="org-src-container">
Update documentation
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<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">external</span> <span class="org-function-name">erfc_float</span> <span class="org-tuareg-font-lock-operator">:</span> float <span class="org-tuareg-font-lock-operator">-&gt;</span> float
<span class="org-tuareg-font-lock-operator">=</span> <span class="org-string">"erfc_float_bytecode"</span> <span class="org-string">"erfc_float"</span> <span class="org-tuareg-font-lock-attribute">[@@unboxed]</span> <span class="org-tuareg-font-lock-attribute">[@@noalloc]</span>
MP2 OK
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</pre>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org8e5f09f" class="outline-4">
<h4 id="org8e5f09f"><span class="section-number-4">13.1.3</span> Gamma</h4>
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<div class="outline-text-4" id="text-13-1-3">
MP2 OK
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<div class="org-src-container">
Update documentation
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<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">external</span> <span class="org-function-name">gamma_float</span> <span class="org-tuareg-font-lock-operator">:</span> float <span class="org-tuareg-font-lock-operator">-&gt;</span> float
<span class="org-tuareg-font-lock-operator">=</span> <span class="org-string">"gamma_float_bytecode"</span> <span class="org-string">"gamma_float"</span> <span class="org-tuareg-font-lock-attribute">[@@unboxed]</span> <span class="org-tuareg-font-lock-attribute">[@@noalloc]</span>
MP2 OK
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</pre>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orgabbe075" class="outline-4">
<h4 id="orgabbe075"><span class="section-number-4">13.1.4</span> Popcnt</h4>
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<div class="outline-text-4" id="text-13-1-4">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">popcnt</span> <span class="org-tuareg-font-lock-operator">:</span> int64 <span class="org-tuareg-font-lock-operator">-&gt;</span> int
</pre>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orge608f84" class="outline-4">
<h4 id="orge608f84"><span class="section-number-4">13.1.5</span> Trailz</h4>
Update documentation
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<div class="outline-text-4" id="text-13-1-5">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">trailz</span> <span class="org-tuareg-font-lock-operator">:</span> int64 <span class="org-tuareg-font-lock-operator">-&gt;</span> int
</pre>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-orgc7b8b23" class="outline-4">
<h4 id="orgc7b8b23"><span class="section-number-4">13.1.6</span> Leadz</h4>
Update documentation
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<div class="outline-text-4" id="text-13-1-6">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">leadz</span> <span class="org-tuareg-font-lock-operator">:</span> int64 <span class="org-tuareg-font-lock-operator">-&gt;</span> int
</pre>
</div>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org6431a20" class="outline-4">
<h4 id="org6431a20"><span class="section-number-4">13.1.7</span> Test</h4>
MP2 OK
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</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org3316248" class="outline-3">
<h3 id="org3316248"><span class="section-number-3">13.2</span> General functions</h3>
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<div class="outline-text-3" id="text-13-2">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">fact</span> <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> float
<span class="org-comment-delimiter">(* </span><span class="org-comment">@raise Invalid_argument for negative arguments or arguments &gt;100. </span><span class="org-comment-delimiter">*)</span>
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">binom</span> <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> int
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">binom_float</span> <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">chop</span> <span class="org-tuareg-font-lock-operator">:</span> float <span class="org-tuareg-font-lock-operator">-&gt;</span> <span class="org-tuareg-font-lock-operator">(</span>unit <span class="org-tuareg-font-lock-operator">-&gt;</span> float<span class="org-tuareg-font-lock-operator">)</span> <span class="org-tuareg-font-lock-operator">-&gt;</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pow</span> <span class="org-tuareg-font-lock-operator">:</span> float <span class="org-tuareg-font-lock-operator">-&gt;</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">float_of_int_fast</span> <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_some</span> <span class="org-tuareg-font-lock-operator">:</span> 'a option <span class="org-tuareg-font-lock-operator">-&gt;</span> 'a
<span class="org-keyword">exception</span> <span class="org-tuareg-font-lock-constructor">Not_implemented</span> <span class="org-keyword">of</span> string
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">not_implemented</span> <span class="org-tuareg-font-lock-operator">:</span> string <span class="org-tuareg-font-lock-operator">-&gt;</span> 'a
<span class="org-comment-delimiter">(* </span><span class="org-comment">@raise Not_implemented. </span><span class="org-comment-delimiter">*)</span>
</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>fact</code></td>
<td class="org-left">Factorial function.</td>
</tr>
<tr>
<td class="org-left"><code>binom</code></td>
<td class="org-left">Binomial coefficient. <code>binom n k</code> = \(C_n^k\)</td>
</tr>
<tr>
<td class="org-left"><code>binom_float</code></td>
<td class="org-left">float variant of <code>binom</code></td>
</tr>
<tr>
<td class="org-left"><code>pow</code></td>
<td class="org-left">Fast implementation of the power function for small integer powers</td>
</tr>
<tr>
<td class="org-left"><code>chop</code></td>
<td class="org-left">In <code>chop a f</code>, evaluate <code>f</code> only if the absolute value of <code>a</code> is larger than <code>Constants.epsilon</code>, and return <code>a *. f ()</code>.</td>
</tr>
<tr>
<td class="org-left"><code>float_of_int_fast</code></td>
<td class="org-left">Faster implementation of float<sub>of</sub><sub>int</sub> for small positive ints</td>
</tr>
<tr>
<td class="org-left"><code>not_implemented</code></td>
<td class="org-left">Fails if some functionality is not implemented</td>
</tr>
<tr>
<td class="org-left"><code>of_some</code></td>
<td class="org-left">Extracts the value of an option</td>
</tr>
</tbody>
</table>
</div>
</div>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<div id="outline-container-org0fe518a" class="outline-3">
<h3 id="org0fe518a"><span class="section-number-3">13.3</span> Functions related to the Boys function</h3>
Update documentation
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<div class="outline-text-3" id="text-13-3">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">incomplete_gamma</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-label">alpha</span><span class="org-tuareg-font-lock-operator">:</span>float <span class="org-tuareg-font-lock-operator">-&gt;</span> float <span class="org-tuareg-font-lock-operator">-&gt;</span> float
<span class="org-comment-delimiter">(* </span><span class="org-comment">@raise Failure when the calculation doesn't converge. </span><span class="org-comment-delimiter">*)</span>
</pre>
</div>
<p>
The lower <a href="https://en.wikipedia.org/wiki/Incomplete_gamma_function">Incomplete Gamma function</a> is implemented :
\[
\gamma(\alpha,x) = \int_0^x e^{-t} t^{\alpha-1} dt
\]
</p>
<p>
p: \(\frac{1}{\Gamma(\alpha)} \int_0^x e^{-t} t^{\alpha-1} dt\)
</p>
<p>
q: \(\frac{1}{\Gamma(\alpha)} \int_x^\infty e^{-t} t^{\alpha-1} dt\)
</p>
<p>
Reference : Haruhiko Okumura: C-gengo niyoru saishin algorithm jiten
(New Algorithm handbook in C language) (Gijyutsu hyouron sha,
Tokyo, 1991) p.227 [in Japanese]
</p>
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">boys_function</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-label">maxm</span><span class="org-tuareg-font-lock-operator">:</span>int <span class="org-tuareg-font-lock-operator">-&gt;</span> float <span class="org-tuareg-font-lock-operator">-&gt;</span> float array
</pre>
</div>
<p>
The <a href="https://link.springer.com/article/10.1007/s10910-005-9023-3">Generalized Boys function</a> is implemented,
<code>maxm</code> is the maximum total angular momentum.
</p>
<p>
\[
F_m(x) = \frac{\gamma(m+1/2,x)}{2x^{m+1/2}}
\]
where \(\gamma\) is the incomplete gamma function.
</p>
<ul class="org-ul">
<li>\(F_0(0.) = 1\)</li>
<li>\(F_0(t) = \frac{\sqrt{\pi}}{2\sqrt{t}} \text{erf} ( \sqrt{t} )\)</li>
<li>\(F_m(0.) = \frac{1}{2m+1}\)</li>
<li>\(F_m(t) = \frac{\gamma{m+1/2,t}}{2t^{m+1/2}}\)</li>
<li>\(F_m(t) = \frac{ 2t\, F_{m+1}(t) + e^{-t} }{2m+1}\)</li>
</ul>
</div>
</div>
Fix for ocaml 4.14.0
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<div id="outline-container-org0e30fdf" class="outline-3">
<h3 id="org0e30fdf"><span class="section-number-3">13.4</span> List functions</h3>
Update documentation
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<div class="outline-text-3" id="text-13-4">
MP2 OK
2021-01-01 16:39:33 +01:00
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">list_some</span> <span class="org-tuareg-font-lock-operator">:</span> 'a option list <span class="org-tuareg-font-lock-operator">-&gt;</span> 'a list
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">list_range</span> <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> int list
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">list_pack</span> <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> 'a list <span class="org-tuareg-font-lock-operator">-&gt;</span> 'a list list
</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>list_some</code></td>
<td class="org-left">Filters out all <code>None</code> elements of the list, and returns the elements without the <code>Some</code></td>
</tr>
<tr>
<td class="org-left"><code>list_range</code></td>
<td class="org-left">Creates a list of consecutive integers</td>
</tr>
<tr>
<td class="org-left"><code>list_pack</code></td>
<td class="org-left"><code>list_pack n l</code> Creates a list of <code>n</code>-elements lists</td>
</tr>
</tbody>
</table>
</div>
</div>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<div id="outline-container-orgaddbe86" class="outline-3">
<h3 id="orgaddbe86"><span class="section-number-3">13.5</span> Array functions</h3>
Update documentation
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<div class="outline-text-3" id="text-13-5">
MP2 OK
2021-01-01 16:39:33 +01:00
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">array_range</span> <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> int array
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">array_sum</span> <span class="org-tuareg-font-lock-operator">:</span> float array <span class="org-tuareg-font-lock-operator">-&gt;</span> float
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">array_product</span> <span class="org-tuareg-font-lock-operator">:</span> float array <span class="org-tuareg-font-lock-operator">-&gt;</span> float
</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>array_range</code></td>
<td class="org-left">Creates an array of consecutive integers</td>
</tr>
<tr>
<td class="org-left"><code>array_sum</code></td>
<td class="org-left">Returns the sum of all the elements of the array</td>
</tr>
<tr>
<td class="org-left"><code>array_product</code></td>
<td class="org-left">Returns the product of all the elements of the array</td>
</tr>
</tbody>
</table>
</div>
</div>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<div id="outline-container-orgcabbcdc" class="outline-3">
<h3 id="orgcabbcdc"><span class="section-number-3">13.6</span> Stream functions</h3>
Update documentation
2021-01-28 00:34:26 +01:00
<div class="outline-text-3" id="text-13-6">
MP2 OK
2021-01-01 16:39:33 +01:00
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">stream_range</span> <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> int <span class="org-tuareg-font-lock-module">Stream.</span>t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">stream_to_list</span> <span class="org-tuareg-font-lock-operator">:</span> 'a <span class="org-tuareg-font-lock-module">Stream.</span>t <span class="org-tuareg-font-lock-operator">-&gt;</span> 'a list
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">stream_fold</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-operator">(</span>'a <span class="org-tuareg-font-lock-operator">-&gt;</span> 'b <span class="org-tuareg-font-lock-operator">-&gt;</span> 'a<span class="org-tuareg-font-lock-operator">)</span> <span class="org-tuareg-font-lock-operator">-&gt;</span> 'a <span class="org-tuareg-font-lock-operator">-&gt;</span> 'b <span class="org-tuareg-font-lock-module">Stream.</span>t <span class="org-tuareg-font-lock-operator">-&gt;</span> 'a
</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>stream_range</code></td>
<td class="org-left">Creates a stream returning consecutive integers</td>
</tr>
<tr>
<td class="org-left"><code>stream_to_list</code></td>
<td class="org-left">Read a stream and put items in a list</td>
</tr>
<tr>
<td class="org-left"><code>stream_fold</code></td>
<td class="org-left">Apply a fold to the elements of the stream</td>
</tr>
</tbody>
</table>
</div>
</div>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<div id="outline-container-orgb9deae4" class="outline-3">
<h3 id="orgb9deae4"><span class="section-number-3">13.7</span> Printers</h3>
Update documentation
2021-01-28 00:34:26 +01:00
<div class="outline-text-3" id="text-13-7">
MP2 OK
2021-01-01 16:39:33 +01:00
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pp_float_array_size</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Format.</span>formatter <span class="org-tuareg-font-lock-operator">-&gt;</span> float array <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pp_float_array</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Format.</span>formatter <span class="org-tuareg-font-lock-operator">-&gt;</span> float array <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pp_float_2darray_size</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Format.</span>formatter <span class="org-tuareg-font-lock-operator">-&gt;</span> float array array <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pp_float_2darray</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Format.</span>formatter <span class="org-tuareg-font-lock-operator">-&gt;</span> float array array <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pp_bitstring</span> <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> <span class="org-tuareg-font-lock-module">Format.</span>formatter <span class="org-tuareg-font-lock-operator">-&gt;</span> <span class="org-tuareg-font-lock-module">Z.</span>t <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>pp_float_array</code></td>
<td class="org-left">Printer for float arrays</td>
</tr>
<tr>
<td class="org-left"><code>pp_float_array_size</code></td>
<td class="org-left">Printer for float arrays with size</td>
</tr>
<tr>
<td class="org-left"><code>pp_float_2darray</code></td>
<td class="org-left">Printer for matrices</td>
</tr>
<tr>
<td class="org-left"><code>pp_float_2darray_size</code></td>
<td class="org-left">Printer for matrices with size</td>
</tr>
<tr>
<td class="org-left"><code>pp_bitstring</code></td>
<td class="org-left">Printer for bit strings (used by <code>Bitstring</code> module)</td>
</tr>
</tbody>
</table>
Update documentation
2021-01-28 00:34:26 +01:00
<p>
Example:
</p>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<pre class="example" id="orgb1c43b8">
MP2 OK
2021-01-01 16:39:33 +01:00
pp_float_array_size:
[ 6: 1.000000 1.732051 1.732051 1.000000 1.732051 1.000000 ]
pp_float_array:
[ 1.000000 1.732051 1.732051 1.000000 1.732051 1.000000 ]
pp_float_2darray_size
[
2:[ 6: 1.000000 1.732051 1.732051 1.000000 1.732051 1.000000 ]
[ 4: 1.000000 2.000000 3.000000 4.000000 ] ]
pp_float_2darray:
[ [ 1.000000 1.732051 1.732051 1.000000 1.732051 1.000000 ]
[ 1.000000 2.000000 3.000000 4.000000 ] ]
pp_bitstring 14:
+++++------+--
</pre>
</div>
</div>
</div>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<div id="outline-container-orgf88e554" class="outline-2">
<h2 id="orgf88e554"><span class="section-number-2">14</span> Zkey</h2>
Update documentation
2021-01-28 00:34:26 +01:00
<div class="outline-text-2" id="text-14">
MP2 OK
2021-01-01 16:39:33 +01:00
<p>
Encodes the powers of x, y, z in a compact form, suitable for being
used as keys in a hash table.
</p>
<p>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
Internally, the <a href="#orgdbccff9"><code>Zkey.t</code></a> is made of two integers, <code>left</code> and <code>right</code>.
MP2 OK
2021-01-01 16:39:33 +01:00
The small integers x, y and z are stored compactly in this 126-bits
space:
</p>
Update documentation
2021-01-28 00:34:26 +01:00
<p>
Example:
</p>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<pre class="example" id="orgb1db774">
MP2 OK
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Left Right
3 [--------------------------------------------------------------] [------------------|---------------|---------------|---------------]
x y z
6 [--------------------------------------------------------------] [---|----------|----------|----------|----------|----------|---------]
x1 y1 z1 x2 y2 z2
9 [---------------------------------|----------|----------|---------] [---|----------|----------|----------|----------|----------|---------]
x1 y1 z1 x2 y2 z2 x3 y3 z3
12 [---|----------|----------|----------|----------|----------|---------] [---|----------|----------|----------|----------|----------|---------]
x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4
</pre>
<p>
The values of x,y,z should be positive and should not exceed 32767 for
<code>kind=3</code>. For all other kinds kinds the values should not exceed 1023.
</p>
</div>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<div id="outline-container-orgc7c538e" class="outline-3">
<h3 id="orgc7c538e"><span class="section-number-3">14.1</span> Types</h3>
Update documentation
2021-01-28 00:34:26 +01:00
<div class="outline-text-3" id="text-14-1">
<p>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<a id="orgdbccff9"><code>Zkey.t</code></a>
Update documentation
2021-01-28 00:34:26 +01:00
</p>
MP2 OK
2021-01-01 16:39:33 +01:00
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">t</span>
<span class="org-tuareg-font-lock-governing">type</span> <span class="org-type">kind</span> <span class="org-tuareg-font-lock-operator">=</span>
<span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">Three</span> <span class="org-keyword">of</span> <span class="org-tuareg-font-lock-module">Powers.</span>t
<span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">Four</span> <span class="org-keyword">of</span> <span class="org-tuareg-font-lock-operator">(</span>int <span class="org-tuareg-font-lock-operator">*</span> int <span class="org-tuareg-font-lock-operator">*</span> int <span class="org-tuareg-font-lock-operator">*</span> int<span class="org-tuareg-font-lock-operator">)</span>
<span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">Six</span> <span class="org-keyword">of</span> <span class="org-tuareg-font-lock-operator">(</span><span class="org-tuareg-font-lock-module">Powers.</span>t <span class="org-tuareg-font-lock-operator">*</span> <span class="org-tuareg-font-lock-module">Powers.</span>t<span class="org-tuareg-font-lock-operator">)</span>
<span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">Nine</span> <span class="org-keyword">of</span> <span class="org-tuareg-font-lock-operator">(</span><span class="org-tuareg-font-lock-module">Powers.</span>t <span class="org-tuareg-font-lock-operator">*</span> <span class="org-tuareg-font-lock-module">Powers.</span>t <span class="org-tuareg-font-lock-operator">*</span> <span class="org-tuareg-font-lock-module">Powers.</span>t<span class="org-tuareg-font-lock-operator">)</span>
<span class="org-tuareg-font-lock-operator">|</span> <span class="org-tuareg-font-lock-constructor">Twelve</span> <span class="org-keyword">of</span> <span class="org-tuareg-font-lock-operator">(</span><span class="org-tuareg-font-lock-module">Powers.</span>t <span class="org-tuareg-font-lock-operator">*</span> <span class="org-tuareg-font-lock-module">Powers.</span>t <span class="org-tuareg-font-lock-operator">*</span> <span class="org-tuareg-font-lock-module">Powers.</span>t <span class="org-tuareg-font-lock-operator">*</span> <span class="org-tuareg-font-lock-module">Powers.</span>t<span class="org-tuareg-font-lock-operator">)</span>
</pre>
</div>
</div>
</div>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<div id="outline-container-org0215c7d" class="outline-3">
<h3 id="org0215c7d"><span class="section-number-3">14.2</span> Conversions</h3>
Update documentation
2021-01-28 00:34:26 +01:00
<div class="outline-text-3" id="text-14-2">
MP2 OK
2021-01-01 16:39:33 +01:00
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_powers_three</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Powers.</span>t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_powers_six</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Powers.</span>t <span class="org-tuareg-font-lock-operator">-&gt;</span> <span class="org-tuareg-font-lock-module">Powers.</span>t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_powers_nine</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Powers.</span>t <span class="org-tuareg-font-lock-operator">-&gt;</span> <span class="org-tuareg-font-lock-module">Powers.</span>t <span class="org-tuareg-font-lock-operator">-&gt;</span> <span class="org-tuareg-font-lock-module">Powers.</span>t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_powers_twelve</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Powers.</span>t <span class="org-tuareg-font-lock-operator">-&gt;</span> <span class="org-tuareg-font-lock-module">Powers.</span>t <span class="org-tuareg-font-lock-operator">-&gt;</span> <span class="org-tuareg-font-lock-module">Powers.</span>t <span class="org-tuareg-font-lock-operator">-&gt;</span> <span class="org-tuareg-font-lock-module">Powers.</span>t <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_powers</span> <span class="org-tuareg-font-lock-operator">:</span> kind <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_int_array</span> <span class="org-tuareg-font-lock-operator">:</span> int array <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">of_int_four</span> <span class="org-tuareg-font-lock-operator">:</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> int <span class="org-tuareg-font-lock-operator">-&gt;</span> t
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">to_int_array</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> int array
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">to_powers</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> kind
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">to_string</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> string
</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>of_powers_three</code></td>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<td class="org-left">Create from a <a href="#org63557b0"><code>Powers.t</code></a></td>
MP2 OK
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</tr>
<tr>
<td class="org-left"><code>of_powers_six</code></td>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<td class="org-left">Create from two <a href="#org63557b0"><code>Powers.t</code></a></td>
MP2 OK
2021-01-01 16:39:33 +01:00
</tr>
<tr>
<td class="org-left"><code>of_powers_nine</code></td>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<td class="org-left">Create from three <a href="#org63557b0"><code>Powers.t</code></a></td>
MP2 OK
2021-01-01 16:39:33 +01:00
</tr>
<tr>
<td class="org-left"><code>of_powers_twelve</code></td>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<td class="org-left">Create from four <a href="#org63557b0"><code>Powers.t</code></a></td>
MP2 OK
2021-01-01 16:39:33 +01:00
</tr>
<tr>
<td class="org-left"><code>of_powers</code></td>
<td class="org-left">Create using the <code>kind</code> type</td>
</tr>
<tr>
<td class="org-left"><code>of_int_array</code></td>
<td class="org-left">Convert from an <code>int</code> array</td>
</tr>
<tr>
<td class="org-left"><code>of_int_four</code></td>
<td class="org-left">Create from four <code>ints</code></td>
</tr>
<tr>
<td class="org-left"><code>to_int_array</code></td>
<td class="org-left">Convert to an <code>int</code> array</td>
</tr>
<tr>
<td class="org-left"><code>to_powers</code></td>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<td class="org-left">Convert to an <a href="#org63557b0"><code>Powers.t</code></a> array</td>
MP2 OK
2021-01-01 16:39:33 +01:00
</tr>
<tr>
<td class="org-left"><code>to_string</code></td>
<td class="org-left">Pretty printing</td>
</tr>
</tbody>
</table>
</div>
</div>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<div id="outline-container-org5614300" class="outline-3">
<h3 id="org5614300"><span class="section-number-3">14.3</span> Functions for hash tables</h3>
Update documentation
2021-01-28 00:34:26 +01:00
<div class="outline-text-3" id="text-14-3">
MP2 OK
2021-01-01 16:39:33 +01:00
<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">hash</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> int
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">equal</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> bool
<span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">compare</span> <span class="org-tuareg-font-lock-operator">:</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> int
</pre>
</div>
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
<colgroup>
<col class="org-left" />
<col class="org-left" />
</colgroup>
<tbody>
<tr>
<td class="org-left"><code>hash</code></td>
<td class="org-left">Associates a nonnegative integer to any Zkey</td>
</tr>
<tr>
<td class="org-left"><code>equal</code></td>
<td class="org-left">The equal function. True if two Zkeys are equal</td>
</tr>
<tr>
<td class="org-left"><code>compare</code></td>
<td class="org-left">Comparison function, used for sorting</td>
</tr>
</tbody>
</table>
</div>
</div>
Fix for ocaml 4.14.0
2022-12-12 18:16:17 +01:00
<div id="outline-container-org4fc56a9" class="outline-3">
<h3 id="org4fc56a9"><span class="section-number-3">14.4</span> Printers</h3>
Update documentation
2021-01-28 00:34:26 +01:00
<div class="outline-text-3" id="text-14-4">
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">val</span> <span class="org-function-name">pp</span> <span class="org-tuareg-font-lock-operator">:</span> <span class="org-tuareg-font-lock-module">Format.</span>formatter <span class="org-tuareg-font-lock-operator">-&gt;</span> t <span class="org-tuareg-font-lock-operator">-&gt;</span> unit
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Fix for ocaml 4.14.0
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<div id="outline-container-orgd46005c" class="outline-2">
<h2 id="orgd46005c"><span class="section-number-2">15</span> Zmap</h2>
Update documentation
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<div class="outline-text-2" id="text-15">
MP2 OK
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<p>
A hash table where the keys are <code>Zkey</code>
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Fix for ocaml 4.14.0
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<div id="outline-container-org928a378" class="outline-3">
<h3 id="org928a378"><span class="section-number-3">15.1</span> Type</h3>
Update documentation
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<div class="outline-text-3" id="text-15-1">
<p>
Fix for ocaml 4.14.0
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<a id="org769d291"><code>Zmap.t</code></a>
Update documentation
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</p>
MP2 OK
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<div class="org-src-container">
<pre class="src src-ocaml"><span class="org-tuareg-font-lock-governing">include</span> <span class="org-tuareg-font-lock-governing">module type of</span> <span class="org-tuareg-font-lock-module">Hashtbl.Make</span><span class="org-tuareg-font-lock-operator">(</span><span class="org-tuareg-font-lock-constructor">Zkey</span><span class="org-tuareg-font-lock-operator">)</span>
</pre>
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<div id="postamble" class="status">
<p class="author">Author: Anthony Scemama</p>
Fix for ocaml 4.14.0
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<p class="date">Created: 2022-12-12 Mon 18:12</p>
MP2 OK
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<p class="validation"><a href="https://validator.w3.org/check?uri=referer">Validate</a></p>
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