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update candela
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Chentao168 committed Aug 23, 2023
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18 changes: 9 additions & 9 deletions _book/abacus-candela.html
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Expand Up @@ -413,7 +413,7 @@ <h2 id="1-&#x4E0B;&#x8F7D;&#x5E76;&#x5B89;&#x88C5;-candela"><a name="1-&#x4E0B;&
<p>&#x82E5;&#x4F7F;&#x7528; Intel Oneapi &#x7F16;&#x8BD1;&#x5668;&#xFF0C;&#x6309;&#x7167;&#x4E0A;&#x8FF0;&#x6D41;&#x7A0B;&#x64CD;&#x4F5C;&#xFF0C;&#x5728;&#x7F16;&#x8BD1;&#x5B8C;&#x6210;&#x540E;&#x5373;&#x53EF;&#x5728; <code>bin</code> &#x76EE;&#x5F55;&#x4E0B;&#x770B;&#x5230; <code>candela</code> &#x53EF;&#x6267;&#x884C;&#x6587;&#x4EF6;</p>
<p>&#x82E5;&#x4F7F;&#x7528;&#x5176;&#x4ED6;&#x7F16;&#x8BD1;&#x5668;&#xFF0C;&#x9700;&#x8981;&#x6309;&#x7167; <code>Candela</code> &#x76EE;&#x5F55;&#x4E0B; <code>Makefile.vars</code> &#x4FEE;&#x6539;&#x76F8;&#x5E94;&#x7684; CXX</p>
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<p>&#x53EF;&#x4EE5;&#x4ECE; Gitee &#x4E0A;<a href="https://gitee.com/mcresearch/abacus-user-guide/tree/master/examples/interface_Phonopy" target="_blank">&#x4E0B;&#x8F7D;</a>&#x3002;&#x5728;&#x7F51;&#x9875;&#x53F3;&#x4FA7;&#x70B9;&#x51FB;&#x514B;&#x9686;/&#x4E0B;&#x8F7D;-&gt; &#x4E0B;&#x8F7D; ZIP &#x5F97;&#x5230;&#x7B97;&#x4F8B;&#xFF0C;&#x6216;&#x8005;&#x5728; linux &#x7EC8;&#x7AEF;&#x6267;&#x884C;&#x5982;&#x4E0B;&#x547D;&#x4EE4;&#x5F97;&#x5230;&#x7B97;&#x4F8B;&#xFF1A;</p>
<p>&#x53EF;&#x4EE5;&#x4ECE; Gitee &#x4E0A;<a href="https://gitee.com/mcresearch/abacus-user-guide/tree/master/examples/candela" target="_blank">&#x4E0B;&#x8F7D;</a>&#x3002;&#x5728;&#x7F51;&#x9875;&#x53F3;&#x4FA7;&#x70B9;&#x51FB;&#x514B;&#x9686;/&#x4E0B;&#x8F7D;-&gt; &#x4E0B;&#x8F7D; ZIP &#x5F97;&#x5230;&#x7B97;&#x4F8B;&#xFF0C;&#x6216;&#x8005;&#x5728; linux &#x7EC8;&#x7AEF;&#x6267;&#x884C;&#x5982;&#x4E0B;&#x547D;&#x4EE4;&#x5F97;&#x5230;&#x7B97;&#x4F8B;&#xFF1A;</p>
<pre class="language-"><code>git clone https://gitee.com/mcresearch/abacus-user-guide.git
</code></pre><p>&#x4E0B;&#x8F7D;&#x5B8C;&#x6210;&#x540E;&#x89E3;&#x538B;&#xFF0C;&#x4E4B;&#x540E;&#x8FDB;&#x5165; <code>abacus-user-guide/examples/candela</code> &#x6587;&#x4EF6;&#x5939;</p>
<p>&#x7B97;&#x4F8B;&#x4E2D;&#x5305;&#x542B; <code>RDF</code>&#x3001;<code>SSF</code>&#x3001;<code>DSF</code>&#x3001;<code>MSD</code> &#x56DB;&#x4E2A;&#x6587;&#x4EF6;&#x5939;&#x548C; <code>MD_dump</code> &#x6587;&#x4EF6;&#x3002;&#x5176;&#x4E2D; <code>MD_dump</code> &#x662F; 32 &#x539F;&#x5B50;&#x7684;&#x94DD;&#x7684; MD &#x8F68;&#x8FF9;</p>
Expand Down Expand Up @@ -466,9 +466,9 @@ <h2 id="2-&#x9759;&#x6001;&#x7ED3;&#x6784;&#x56E0;&#x5B50;"><a name="2-&#x9759;&
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<p>&#x4EE5;&#x4E0A;&#x53C2;&#x6570;&#x5728; Candela &#x7684;<a href="https://candela-docs.readthedocs.io/en/latest/" target="_blank">&#x7EBF;&#x4E0A;&#x6587;&#x6863;</a>&#x4E2D;&#x5747;&#x6709;&#x8BE6;&#x7EC6;&#x8BF4;&#x660E;&#xFF0C;&#x8FD9;&#x91CC;&#x518D;&#x8FDB;&#x884C;&#x7B80;&#x5355;&#x6982;&#x8FF0;&#xFF1A;</p>
Expand Down Expand Up @@ -500,10 +500,10 @@ <h2 id="3-&#x79BB;&#x5B50;-&#x79BB;&#x5B50;&#x52A8;&#x6001;&#x7ED3;&#x6784;&#x56
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