pwmat:sidebar

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--- pwmat:sidebar [2024/02/04 14:43] – pengge
+++ pwmat:sidebar [2024/02/07 09:58] (当前版本) – pengge
@@ 行 4: / 行 4: @@
   * [[pwmat:install|安装]]
   * [[pwmat:manual|用户手册]]
-  * [[changes|Input Files]]
+  * [[pwmat:changes|Input Files]]
-  * [[faq|Output Files]]
+  * [[pwmat:faq|Output Files]]
 <WRAP #pwmat-demo>
-++++ * Examples |
+++++ Examples |
   * [[pwmat:demo:scf|SCF calculation]]
   * [[pwmat:demo:dos|DOS calculation]]
@@ 行 33: / 行 33: @@
 </WRAP>
-**PWMLFF**
+**[[pwmat:pwmlff:start|PWMLFF]]**
+  * [[pwmat:pwmlff:install|Installation]]
+  * [[pwmat:pwmlff:param_dtls|Parameter details]]
-**Q-Studio**
+<WRAP #pwmat-pwmlff-example>
+++++ Simple examples|
+  * [[pwmat:pwmlff:example:start|Simple examples]]
+''Linear model''
+  * [[pwmat:pwmlff:example:linear:linear_sic|Bulk SiC system]]
-**Q-Flow**
+''Neural Network model''
+  * [[pwmat:pwmlff:example:nn:nn_ec|Molecure Ethylene carbonate system]]
+''Deep Potential model''
+  * [[pwmat:pwmlff:example:dp:cu|Bulk Cu system]]
+  * [[pwmat:pwmlff:example:dp:si|Bulk Si system (Active Leanring)]]
+++++
+</WRAP>
+  * [[pwmat:pwmlff:appendix1|Appendix I: features Wiki]]
+**[[pwmat:module:start|module]]**
+  * [[pwmat:module:structure|物质结构]]
+  * [[pwmat:module:phonon|电子结构及声子计算]]
+  * [[pwmat:module:optical|光、磁、力学和极化性质]]
+  * [[pwmat:module:defect|缺陷性质]]
+  * [[pwmat:module:elechemical|电化学性质]]
+  * [[pwmat:module:transport|输运性质]]
+  * [[pwmat:module:ultrafast|超快动力学过程]]
+  * [[pwmat:module:beyond|Beyond DFT]]
+  * [[pwmat:module:irradiation|电子束辐照分解]]
+  * [[pwmat:module:large|大体系计算]]
+  * [[pwmat:module:mlff|机器学习力场]]
+**[[http://doc.lonxun.com/Q-Studio/|Q-Studio]]**
+**[[http://doc.lonxun.com/Q-Flow/|Q-Flow]]**
@@ 行 53: / 行 87: @@
 ~~NOCACHE~~
+~~DISCUSSION:off~~

pwmat/sidebar.1707028997.txt.gz · 最后更改: 2024/02/04 14:43 由 pengge