deploy: fd5782e

Custom_Group.html

@@ -200,7 +200,7 @@ <h2>Run<a class="headerlink" href="#run" title="Permalink to this headline"><
 </pre></div>
 </div>
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>{&quot;steps&quot;: 1000000, &quot;n_particles&quot;: 256, &quot;time_step&quot;: 0.005, &quot;seed&quot;: 435423, &quot;anderson_nu&quot;: 100, &quot;langevin_gamma&quot;: 0.5, &quot;bussi_taut&quot;: 0.5, &quot;thermostat_seed&quot;: 54344, &quot;rcut&quot;: 10, &quot;skin&quot;: 0.6000000000000001, &quot;temperature&quot;: 0.1, &quot;pressure&quot;: 0.25, &quot;box_update_period&quot;: 10, &quot;start_temperature&quot;: 0.1, &quot;thermostat&quot;: &quot;baoab&quot;, &quot;force_type&quot;: &quot;lj&quot;, &quot;final_positions&quot;: &quot;quasi/final_positions.dat&quot;, &quot;cell_log_file&quot;: &quot;quasi/cell_log_file.dat&quot;, &quot;print_period&quot;: 10000.0, &quot;cell&quot;: [38.0257, 0.0, 0.0, 37.0197], &quot;lj_epsilon&quot;: 1, &quot;lj_sigma&quot;: 1, &quot;images&quot;: [0, 0], &quot;wyckoffs&quot;: [{&quot;group&quot;: &quot;quasi/group-custom-00.json&quot;, &quot;n_particles&quot;: 1}], &quot;start_positions&quot;: &quot;quasi/final_positions.dat&quot;, &quot;group&quot;: &quot;quasi/group-custom.json&quot;, &quot;position_log_period&quot;: 1000, &quot;positions_log_file&quot;: &quot;quasi/positions.xyz&quot;}
-Info: You are running version c07a of symd
+Info: You are running version fd57 of symd
 Assuming you&#39;ll pass parameters via stdin. Waiting...
 Warning: assuming default value for velocity_log_period = 0
 Warning: assuming default value for force_log_period = 0
@@ -256,7 +256,7 @@ <h2>Run<a class="headerlink" href="#run" title="Permalink to this headline"><
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>[&lt;matplotlib.lines.Line2D at 0x7f5c20245220&gt;]
+<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>[&lt;matplotlib.lines.Line2D at 0x7fa8d4a02370&gt;]
 </pre></div>
 </div>
 <img alt="_images/Custom_Group_7_1.png" src="_images/Custom_Group_7_1.png" />

Energy_Figure.html

@@ -193,7 +193,7 @@ <h1>Figure 1 from Paper<a class="headerlink" href="#figure-1-from-paper" title="
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>&lt;matplotlib.legend.Legend at 0x7f7512930f70&gt;
+<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>&lt;matplotlib.legend.Legend at 0x7fd219393e50&gt;
 </pre></div>
 </div>
 <img alt="_images/Energy_Figure_5_1.png" src="_images/Energy_Figure_5_1.png" />
@@ -226,7 +226,7 @@ <h2>All Sims<a class="headerlink" href="#all-sims" title="Permalink to this head
 </div>
 <div class="cell_output docutils container">
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>{&quot;steps&quot;: 1000, &quot;n_particles&quot;: 4, &quot;time_step&quot;: 0.005, &quot;seed&quot;: 435423, &quot;anderson_nu&quot;: 100, &quot;langevin_gamma&quot;: 10, &quot;bussi_taut&quot;: 0.5, &quot;thermostat_seed&quot;: 54344, &quot;rcut&quot;: 10, &quot;skin&quot;: 0.6000000000000001, &quot;temperature&quot;: 0.01, &quot;pressure&quot;: null, &quot;box_update_period&quot;: 0, &quot;start_temperature&quot;: 0.5, &quot;thermostat&quot;: &quot;baoab&quot;, &quot;force_type&quot;: &quot;lj&quot;, &quot;final_positions&quot;: &quot;sim2d/group-3.dat&quot;, &quot;cell_log_file&quot;: &quot;sim2d/cell_log_file.dat&quot;, &quot;print_period&quot;: 300.0, &quot;cell&quot;: [2.71442, 0.0, 0.0, 0.0, 2.71442, 0.0, 0.0, 0.0, 2.71442], &quot;lj_epsilon&quot;: 1, &quot;lj_sigma&quot;: 1.0, &quot;n_images&quot;: 2, &quot;start_positions&quot;: &quot;sim2d/group-3.dat&quot;, &quot;group&quot;: &quot;sim2d/group-3.json&quot;}
-Info: You are running version c07a of symd
+Info: You are running version fd57 of symd
 Assuming you&#39;ll pass parameters via stdin. Waiting...
 Warning: assuming default value for position_log_period = 0
 Warning: assuming default value for velocity_log_period = 0
@@ -257,7 +257,7 @@ <h2>All Sims<a class="headerlink" href="#all-sims" title="Permalink to this head
 </pre></div>
 </div>
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>{&quot;steps&quot;: 1000, &quot;n_particles&quot;: 4, &quot;time_step&quot;: 0.005, &quot;seed&quot;: 435423, &quot;anderson_nu&quot;: 100, &quot;langevin_gamma&quot;: 10, &quot;bussi_taut&quot;: 0.5, &quot;thermostat_seed&quot;: 54344, &quot;rcut&quot;: 10, &quot;skin&quot;: 0.6000000000000001, &quot;temperature&quot;: 0.01, &quot;pressure&quot;: null, &quot;box_update_period&quot;: 0, &quot;start_temperature&quot;: 0.5, &quot;thermostat&quot;: &quot;baoab&quot;, &quot;force_type&quot;: &quot;lj&quot;, &quot;final_positions&quot;: &quot;sim2d/group-6.dat&quot;, &quot;cell_log_file&quot;: &quot;sim2d/cell_log_file.dat&quot;, &quot;print_period&quot;: 300.0, &quot;cell&quot;: [2.71442, 0.0, 0.0, 0.0, 2.71442, 0.0, 0.0, 0.0, 2.71442], &quot;lj_epsilon&quot;: 1, &quot;lj_sigma&quot;: 1.0, &quot;n_images&quot;: 2, &quot;start_positions&quot;: &quot;sim2d/group-6.dat&quot;, &quot;group&quot;: &quot;sim2d/group-6.json&quot;}
-Info: You are running version c07a of symd
+Info: You are running version fd57 of symd
 Assuming you&#39;ll pass parameters via stdin. Waiting...
 Warning: assuming default value for position_log_period = 0
 Warning: assuming default value for velocity_log_period = 0
@@ -287,7 +287,7 @@ <h2>All Sims<a class="headerlink" href="#all-sims" title="Permalink to this head
 </pre></div>
 </div>
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>{&quot;steps&quot;: 1000, &quot;n_particles&quot;: 4, &quot;time_step&quot;: 0.005, &quot;seed&quot;: 435423, &quot;anderson_nu&quot;: 100, &quot;langevin_gamma&quot;: 10, &quot;bussi_taut&quot;: 0.5, &quot;thermostat_seed&quot;: 54344, &quot;rcut&quot;: 10, &quot;skin&quot;: 0.6000000000000001, &quot;temperature&quot;: 0.01, &quot;pressure&quot;: null, &quot;box_update_period&quot;: 0, &quot;start_temperature&quot;: 0.5, &quot;thermostat&quot;: &quot;baoab&quot;, &quot;force_type&quot;: &quot;lj&quot;, &quot;final_positions&quot;: &quot;sim2d/group-10.dat&quot;, &quot;cell_log_file&quot;: &quot;sim2d/cell_log_file.dat&quot;, &quot;print_period&quot;: 300.0, &quot;cell&quot;: [3.41995, 0.0, 0.0, 0.0, 3.41995, 0.0, 0.0, 0.0, 3.41995], &quot;lj_epsilon&quot;: 1, &quot;lj_sigma&quot;: 1.0, &quot;n_images&quot;: 2, &quot;start_positions&quot;: &quot;sim2d/group-10.dat&quot;, &quot;group&quot;: &quot;sim2d/group-10.json&quot;}
-Info: You are running version c07a of symd
+Info: You are running version fd57 of symd
 Assuming you&#39;ll pass parameters via stdin. Waiting...
 Warning: assuming default value for position_log_period = 0
 Warning: assuming default value for velocity_log_period = 0
@@ -317,7 +317,7 @@ <h2>All Sims<a class="headerlink" href="#all-sims" title="Permalink to this head
 </pre></div>
 </div>
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>{&quot;steps&quot;: 1000, &quot;n_particles&quot;: 4, &quot;time_step&quot;: 0.005, &quot;seed&quot;: 435423, &quot;anderson_nu&quot;: 100, &quot;langevin_gamma&quot;: 10, &quot;bussi_taut&quot;: 0.5, &quot;thermostat_seed&quot;: 54344, &quot;rcut&quot;: 10, &quot;skin&quot;: 0.6000000000000001, &quot;temperature&quot;: 0.01, &quot;pressure&quot;: null, &quot;box_update_period&quot;: 0, &quot;start_temperature&quot;: 0.5, &quot;thermostat&quot;: &quot;baoab&quot;, &quot;force_type&quot;: &quot;lj&quot;, &quot;final_positions&quot;: &quot;sim2d/group-11.dat&quot;, &quot;cell_log_file&quot;: &quot;sim2d/cell_log_file.dat&quot;, &quot;print_period&quot;: 300.0, &quot;cell&quot;: [3.41995, 0.0, 0.0, 0.0, 3.41995, 0.0, 0.0, 0.0, 3.41995], &quot;lj_epsilon&quot;: 1, &quot;lj_sigma&quot;: 1.0, &quot;n_images&quot;: 2, &quot;start_positions&quot;: &quot;sim2d/group-11.dat&quot;, &quot;group&quot;: &quot;sim2d/group-11.json&quot;}
-Info: You are running version c07a of symd
+Info: You are running version fd57 of symd
 Assuming you&#39;ll pass parameters via stdin. Waiting...
 Warning: assuming default value for position_log_period = 0
 Warning: assuming default value for velocity_log_period = 0

Tutorial.html

@@ -328,8 +328,8 @@ <h2>Bravais Lattice<a class="headerlink" href="#bravais-lattice" title="Permalin
 </div>
 <div class="cell_output docutils container">
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>This lattice is Square
-[[2.60993268 0.        ]
- [0.         2.60993268]]
+[[2.13484562 0.        ]
+ [0.         2.13484562]]
 </pre></div>
 </div>
 </div>
@@ -351,7 +351,7 @@ <h2>Bravais Lattice<a class="headerlink" href="#bravais-lattice" title="Permalin
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>The volume of my cell is 6.811748614407135
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>The volume of my cell is 4.5575658136274395
 If I have 8 particles in asymmetric unit, there will be 64 in the unit cell
 </pre></div>
 </div>

_sources/changelog.rst.txt

@@ -1,6 +1,11 @@
 Change Log
 ==========
 
+v1.1.2 (2022-11-20)
+--------------------
+* Fixed incorrect cubic, tetragonal, and hexagonal projectors in 3D
+
+
 v1.1.0 (2022-6-26)
 -------------------
 * Added names of space groups

changelog.html

@@ -47,6 +47,7 @@
               <ul class="current">
 <li class="toctree-l1"><a class="reference internal" href="index.html">Getting Started</a></li>
 <li class="toctree-l1 current"><a class="current reference internal" href="#">Change Log</a><ul>
+<li class="toctree-l2"><a class="reference internal" href="#v1-1-2-2022-11-20">v1.1.2 (2022-11-20)</a></li>
 <li class="toctree-l2"><a class="reference internal" href="#v1-1-0-2022-6-26">v1.1.0 (2022-6-26)</a></li>
 <li class="toctree-l2"><a class="reference internal" href="#v1-0-2-2022-4-4">v1.0.2 (2022-4-4)</a></li>
 <li class="toctree-l2"><a class="reference internal" href="#v1-0-1-2022-4-3">v1.0.1 (2022-4-3)</a></li>
@@ -86,6 +87,12 @@
 
   <section id="change-log">
 <h1>Change Log<a class="headerlink" href="#change-log" title="Permalink to this headline"></a></h1>
+<section id="v1-1-2-2022-11-20">
+<h2>v1.1.2 (2022-11-20)<a class="headerlink" href="#v1-1-2-2022-11-20" title="Permalink to this headline"></a></h2>
+<ul class="simple">
+<li><p>Fixed incorrect cubic, tetragonal, and hexagonal projectors in 3D</p></li>
+</ul>
+</section>
 <section id="v1-1-0-2022-6-26">
 <h2>v1.1.0 (2022-6-26)<a class="headerlink" href="#v1-1-0-2022-6-26" title="Permalink to this headline"></a></h2>
 <ul class="simple">