adf:reaxams

差别

这里会显示出您选择的修订版和当前版本之间的差别。

到此差别页面的链接

--- adf:reaxams [2023/10/17 11:32] – liu.jun
+++ adf:reaxams [2024/04/26 20:48] (当前版本) – liu.jun
@@ 行 2: / 行 2: @@
 <WRAP group>
 <WRAP half column>
-  * [[adf:meaningofparameters]]
   * [[https://www.scm.com/doc/ReaxFF/Included_Forcefields.html|AMS-ReaxFF包含哪些力场]]
-  * **[[https://www.scm.com/doc/params/examples/examples.html|用Advanced WF模块的ParAMS优化、拟合ReaxFF力场]]**
+  * **[[https://www.scm.com/doc/params/examples/engine_index.html#|用Advanced WF模块的ParAMS优化、训练ReaxFF力场]]**
   * [[https://www.scm.com/doc/ReaxFF/index.html|ReaxFF在线英文手册]]
+  * [[https://www.scm.com/doc/OldReaxFF/_downloads/d7a52e6497a56f2d45060be77b3ff6ff/OldStandaloneReaxFF.pdf|ReaxFF2002版原始英文手册]]
 </WRAP>
 <WRAP half column>
+  * [[adf:meaningofparameters]]
   * [[adf:reaxff模块计算过程中的常见问题及解决]]
   * **[[adf:noff]]**
@@ 行 19: / 行 20: @@
 <WRAP half column>
 ====功能教程====
+  * [[adf:crystalandsurface]]
   * [[adf:nvtnptnve]]
   * [[adf:relaxationbeforemd]]
   * [[adf:pesofreaxff]]
+  * [[adf:shakeofmd]]
   * [[adf:simplemdofreaxams]]
   * [[adf:sinkofreaxmd]]
@@ 行 43: / 行 46: @@
   * [[adf:stresstensorofreaxff]]
   * [[adf:geooptunderstressreaxff]]
+  * [[adf:slabsandliquidsystem]]
   * [[adf:linearRegressionofgraph]]
   * [[adf:setviloityforcertainregion]]
+  * [[https://www.scm.com/doc/Tutorials/MolecularDynamicsAndMonteCarlo/SnappingPolyacetylene.html|应力-应变曲线：断裂点]]
+====Python====
+  * [[adf:reaxffcountbonds]]
 </WRAP>
@@ 行 67: / 行 73: @@
   * [[https://www.bilibili.com/video/BV1Za411T76V|ReaxFF模拟煤的热解]]
   * [[adf:cvd|ReaxFF-Ge(001)上的氧化铝薄膜CVD形成模拟]]
-====Python====
+  * [[adf:PESExpClusterGrowthCo8]]
-  * [[adf:reaxffcountbonds]]
+  * [[adf:pesexploration]]
+  * [[adf:pesexploration2]]
+  * [[adf:acereactionnetwork]]
+  * [[adf:isothermcurveofadsorption]]
 ====建模====
@@ 行 75: / 行 84: @@
   * [[adf:highdensity]]
+====键级====
+[[adf:bondorderofMovie]]

adf/reaxams.1697513568.txt.gz · 最后更改: 2023/10/17 11:32 由 liu.jun

© 2014-2022 费米科技（京ICP备14023855号）