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<!DOCTYPE html>
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<h1>All Categories for Yi Yao's Homepage</h1>
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<a data-toggle="collapse" data-parent="#accordion" href="#collapse-dft">DFT <span class="badge pull-right">1</span></a>
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<p><span class="categories-timestamp"><time datetime="2017-04-11T23:26:00+02:00">Tue 11 April 2017</time></span> <a href="./scan-tm-pseudopotentials.html">SCAN TM pseudopotentials</a></p>
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<a data-toggle="collapse" data-parent="#accordion" href="#collapse-fhi-aims">FHI-aims <span class="badge pull-right">1</span></a>
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<p><span class="categories-timestamp"><time datetime="2021-06-15T14:56:00+02:00">Tue 15 June 2021</time></span> <a href="./performing-bader-analysis-with-fhi-aims-code.html">Performing Bader Analysis with FHI-aims code</a></p>
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<a data-toggle="collapse" data-parent="#accordion" href="#collapse-misc">misc <span class="badge pull-right">9</span></a>
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<p><span class="categories-timestamp"><time datetime="2015-05-13T01:56:00+02:00">Wed 13 May 2015</time></span> <a href="./bash-loop-template.html">bash loop template</a></p>
<p><span class="categories-timestamp"><time datetime="2015-05-07T01:56:00+02:00">Thu 07 May 2015</time></span> <a href="./cube-file.html">cube file</a></p>
<p><span class="categories-timestamp"><time datetime="2015-03-09T14:56:00+01:00">Mon 09 March 2015</time></span> <a href="./constrained-density-functional-theory-with-cp2k.html">constrained Density Functional Theory with cp2k</a></p>
<p><span class="categories-timestamp"><time datetime="2015-03-09T14:56:00+01:00">Mon 09 March 2015</time></span> <a href="./crystal-code-with-lc-blyp-functional.html">crystal code with lc-blyp functional</a></p>
<p><span class="categories-timestamp"><time datetime="2015-01-20T14:25:00+01:00">Tue 20 January 2015</time></span> <a href="./generate-initial-structure-by-packmol.html">generate initial structure by packmol</a></p>
<p><span class="categories-timestamp"><time datetime="2015-01-13T16:34:00+01:00">Tue 13 January 2015</time></span> <a href="./using-gaussian-do-ccsd-calculation.html">using gaussian do ccsd calculation</a></p>
<p><span class="categories-timestamp"><time datetime="2014-12-24T01:56:00+01:00">Wed 24 December 2014</time></span> <a href="./simple-awk-and-sed.html">simple awk and sed</a></p>
<p><span class="categories-timestamp"><time datetime="2014-12-04T14:56:00+01:00">Thu 04 December 2014</time></span> <a href="./lis-write-matrix.html">lis write matrix</a></p>
<p><span class="categories-timestamp"><time datetime="2014-12-04T13:40:00+01:00">Thu 04 December 2014</time></span> <a href="./combine-arrays-on-different-cores.html">combine arrays on different cores</a></p>
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<a data-toggle="collapse" data-parent="#accordion" href="#collapse-molecular-dynamics">molecular dynamics <span class="badge pull-right">6</span></a>
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<p><span class="categories-timestamp"><time datetime="2017-01-09T10:00:00+01:00">Mon 09 January 2017</time></span> <a href="./molecular-dynamics-simulations-by-gromacs-lammps-cpmd-cp2k-cpx-qbox-from-scratch.html">molecular dynamics simulations by gromacs lammps cpmd cp2k cp.x qbox from scratch</a></p>
<p><span class="categories-timestamp"><time datetime="2014-12-20T23:26:00+01:00">Sat 20 December 2014</time></span> <a href="./doing-global-optimization-with-minima-hopping-algorithm-with-cp2k.html">doing global optimization with minima hopping algorithm with cp2k</a></p>
<p><span class="categories-timestamp"><time datetime="2014-11-25T13:44:00+01:00">Tue 25 November 2014</time></span> <a href="./dissipative-particle-dynamics-of-membrane-from-scratch.html">dissipative particle dynamics of membrane from scratch</a></p>
<p><span class="categories-timestamp"><time datetime="2014-11-22T23:27:00+01:00">Sat 22 November 2014</time></span> <a href="./dissipative-particle-dynamics.html">dissipative particle dynamics</a></p>
<p><span class="categories-timestamp"><time datetime="2014-11-20T12:52:00+01:00">Thu 20 November 2014</time></span> <a href="./thermodynamics-integration-from-scratch-using-cp2k.html">thermodynamics integration from scratch using cp2k</a></p>
<p><span class="categories-timestamp"><time datetime="2014-04-22T14:31:00+02:00">Tue 22 April 2014</time></span> <a href="./calculate-madelung-constant-by-ewald-method.html">calculate madelung constant by ewald method</a></p>
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<a data-toggle="collapse" data-parent="#accordion" href="#collapse-python">python <span class="badge pull-right">11</span></a>
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<p><span class="categories-timestamp"><time datetime="2017-02-13T10:00:00+01:00">Mon 13 February 2017</time></span> <a href="./tricubic-interpolation.html">tricubic interpolation</a></p>
<p><span class="categories-timestamp"><time datetime="2014-12-20T23:26:00+01:00">Sat 20 December 2014</time></span> <a href="./ase.html">ase</a></p>
<p><span class="categories-timestamp"><time datetime="2014-12-15T13:50:00+01:00">Mon 15 December 2014</time></span> <a href="./using-horton-do-esp-charge-analysis.html">using horton do esp charge analysis</a></p>
<p><span class="categories-timestamp"><time datetime="2014-12-09T23:34:00+01:00">Tue 09 December 2014</time></span> <a href="./using-horton-do-hirshfeld-charge-analysis.html">using horton do hirshfeld charge analysis</a></p>
<p><span class="categories-timestamp"><time datetime="2014-12-09T00:09:00+01:00">Tue 09 December 2014</time></span> <a href="./horton.html">horton</a></p>
<p><span class="categories-timestamp"><time datetime="2014-12-02T16:08:00+01:00">Tue 02 December 2014</time></span> <a href="./mdtraj.html">mdtraj</a></p>
<p><span class="categories-timestamp"><time datetime="2014-11-24T09:27:00+01:00">Mon 24 November 2014</time></span> <a href="./using-ipython-notebook-remotely-over-an-ssh-tunnel.html">using ipython notebook remotely over an ssh tunnel</a></p>
<p><span class="categories-timestamp"><time datetime="2014-11-23T13:40:00+01:00">Sun 23 November 2014</time></span> <a href="./anaconda.html">anaconda</a></p>
<p><span class="categories-timestamp"><time datetime="2014-11-23T11:52:00+01:00">Sun 23 November 2014</time></span> <a href="./numba.html">numba</a></p>
<p><span class="categories-timestamp"><time datetime="2014-11-22T23:27:00+01:00">Sat 22 November 2014</time></span> <a href="./install-mpi4py-on-killdevil.html">Install mpi4py on killdevil</a></p>
<p><span class="categories-timestamp"><time datetime="2014-04-13T19:20:00+02:00">Sun 13 April 2014</time></span> <a href="./my-first-post.html">My first Post</a></p>
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<a data-toggle="collapse" data-parent="#accordion" href="#collapse-quantum-monte-carlo">quantum monte carlo <span class="badge pull-right">1</span></a>
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<p><span class="categories-timestamp"><time datetime="2014-04-22T14:31:00+02:00">Tue 22 April 2014</time></span> <a href="./qmcpack-a-qmc-package.html">qmcpack - a qmc package</a></p>
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