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<!DOCTYPE html>
<html lang="en">
<head>
<meta charset="utf-8">
<meta http-equiv="X-UA-Compatible" content="IE=edge">
<meta name="viewport" content="width=device-width, initial-scale=1">
<meta name="description" content="Library to compute exchange-correlation energies and potentials">
<meta name="author" content="Jose Soler, Alberto Garcia" >
<link rel="icon" href="./favicon.png">
<title> libGridXC </title>
<link href="./css/bootstrap.min.css" rel="stylesheet">
<link href="./css/pygments.css" rel="stylesheet">
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<body>
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</button>
<a class="navbar-brand" href="./index.html">libGridXC </a>
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<ul class="nav navbar-nav">
<li><a href='./page/index.html'>Overview</a></li>
<li class="dropdown hidden-xs visible-sm visible-md hidden-lg">
<a href="#" class="dropdown-toggle"
data-toggle="dropdown" role="button"
aria-haspopup="true"
aria-expanded="false">Contents <span class="caret"></span></a>
<ul class="dropdown-menu">
<li><a href="./lists/files.html">Source Files</a></li>
<li><a href="./lists/modules.html">Modules</a></li>
<li><a href="./lists/procedures.html">Procedures</a></li>
<li><a href="./lists/types.html">Derived Types</a></li>
</ul>
</li>
<li class="visible-xs hidden-sm visible-lg"><a href="./lists/files.html">Source Files</a></li>
<li class="visible-xs hidden-sm visible-lg"><a href="./lists/modules.html">Modules</a></li>
<li class="visible-xs hidden-sm visible-lg"><a href="./lists/procedures.html">Procedures</a></li>
<li class="visible-xs hidden-sm visible-lg"><a href="./lists/types.html">Derived Types</a></li>
</ul>
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</div>
</nav>
<div class="container">
<!-- Main component for a primary marketing message or call to action -->
<div class="jumbotron">
<p>Library to compute exchange-correlation energies and potentials</p>
<p> Find us on…</p>
<p>
<a class="btn btn-lg btn-primary" href="http://gitlab.com/siesta-project/libraries/libgridxc" role="button">The Web</a>
</p>
</div>
<div class="row" id='text'>
<div class="col-md-8">
<h1>libGridXC</h1>
<p>The library provides an API for computing the XC energies and
potentials for radial and box grids.</p>
<p>For more information, check out the <a href="./page/index.html">Overview</a>.</p>
</div>
<div class="col-md-4">
<div class="well">
<h2>Developer Info</h2>
<h4>Jose Soler, Alberto Garcia</h4>
<div class="text-center"><div class="btn-group" role="group">
<a class="btn btn-lg btn-primary" href="mailto:[email protected]"><i class="fa fa-envelope fa-lg"></i></a>
</div></div>
</div>
</div>
</div>
<div class="row">
<div class="col-xs-6 col-sm-3">
<h3>Source Files</h3>
<ul>
<li><a href='./sourcefile/atomxc.f90.html'>atomxc.F90</a></li>
<li><a href='./sourcefile/cellxc.f90.html'>cellxc.F90</a></li>
<li><a href='./sourcefile/gridxc.f90.html'>gridxc.F90</a></li>
<li><a href='./sourcefile/gridxc_config.f90.html'>gridxc_config.F90</a></li>
<li><a href='./sourcefile/gridxc_fft_gpfa.f90.html'>gridxc_fft_gpfa.F90</a></li>
<li><a href='./sourcefile/interpolation.f90.html'>interpolation.F90</a></li>
<li><a href='./sourcefile/m_walltime.f90.html'>m_walltime.F90</a></li>
<li><a href='./sourcefile/mesh1d.f90.html'>mesh1d.F90</a></li>
<li><a href='./sourcefile/xc_hybrids.f90.html'>xc_hybrids.F90</a></li>
<li><a href='./sourcefile/xc_xwpbe.f90.html'>xc_xwpbe.F90</a></li>
<li><a href="./lists/files.html"><em>All source files…</em></a></li>
</ul>
</div>
<div class="col-xs-6 col-sm-3">
<h3>Modules</h3>
<ul>
<li><a href='./module/gridxc.html'>gridXC</a></li>
<li><a href='./module/gridxc_atom.html'>gridxc_atom</a></li>
<li><a href='./module/gridxc_cell.html'>gridxc_cell</a></li>
<li><a href='./module/gridxc_config.html'>gridxc_config</a></li>
<li><a href='./module/gridxc_fft_gpfa.html'>gridxc_fft_gpfa</a></li>
<li><a href='./module/gridxc_gpfa_core_dp.html'>gridxc_gpfa_core_dp</a></li>
<li><a href='./module/gridxc_gpfa_core_sp.html'>gridxc_gpfa_core_sp</a></li>
<li><a href='./module/gridxc_hybrids.html'>gridxc_hybrids</a></li>
<li><a href='./module/gridxc_interpolation.html'>gridxc_interpolation</a></li>
<li><a href='./module/gridxc_mesh1d.html'>gridxc_mesh1D</a></li>
<li><a href="./lists/modules.html"><em>All modules…</em></a></li>
</ul>
</div>
<div class="col-xs-6 col-sm-3">
<h3>Procedures</h3>
<ul>
<li><a href='./proc/atomxc.html'>atomXC</a></li>
<li><a href='./proc/cellxc.html'>cellXC</a></li>
<li><a href='./proc/clean_spline.html'>clean_spline</a></li>
<li><a href='./proc/derivative.html'>derivative</a></li>
<li><a href='./proc/evaluate_spline.html'>evaluate_spline</a></li>
<li><a href='./interface/fft_gpfa.html'>fft_gpfa</a></li>
<li><a href='./interface/fft_gpfa_ez.html'>fft_gpfa_ez</a></li>
<li><a href='./interface/generate_spline.html'>generate_spline</a></li>
<li><a href='./proc/get_mesh.html'>get_mesh</a></li>
<li><a href='./proc/get_n.html'>get_n</a></li>
<li><a href="./lists/procedures.html"><em>All procedures…</em></a></li>
</ul>
</div>
<div class="col-xs-6 col-sm-3">
<h3>Derived Types</h3>
<ul>
<li><a href='./type/spline_t.html'>spline_t</a></li>
</ul>
</div>
</div>
<hr>
</div> <!-- /container -->
<footer>
<div class="container">
<div class="row">
<div class="col-xs-6 col-md-4"><p>© 2022 <a rel="license" href="http://www.freebsd.org/copyright/freebsd-doc-license.html">FreeBSD Documentation License</a>
</p></div>
<div class="col-xs-6 col-md-4 col-md-push-4">
<p class="text-right">
Documentation generated by
<a href="https://github.com/cmacmackin/ford">FORD</a>
</p>
</div>
<div class="col-xs-12 col-md-4 col-md-pull-4"><p class="text-center"> libGridXC was developed by Jose Soler, Alberto Garcia</p></div>
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