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adf:reaxams [2024/01/10 16:00] liu.junadf:reaxams [2024/05/15 18:03] (当前版本) liu.jun
行 7: 行 7:
   * [[https://www.scm.com/doc/ReaxFF/index.html|ReaxFF在线英文手册]]   * [[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]]   * [[https://www.scm.com/doc/OldReaxFF/_downloads/d7a52e6497a56f2d45060be77b3ff6ff/OldStandaloneReaxFF.pdf|ReaxFF2002版原始英文手册]]
 +  * [[adf:filesofreaxff]]
 </WRAP> </WRAP>
  
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 <WRAP half column> <WRAP half column>
 ====功能教程==== ====功能教程====
 +  * [[adf:crystalandsurface]]
   * [[adf:nvtnptnve]]   * [[adf:nvtnptnve]]
   * [[adf:relaxationbeforemd]]   * [[adf:relaxationbeforemd]]
   * [[adf:pesofreaxff]]   * [[adf:pesofreaxff]]
 +  * [[adf:shakeofmd]]
   * [[adf:simplemdofreaxams]]   * [[adf:simplemdofreaxams]]
   * [[adf:sinkofreaxmd]]   * [[adf:sinkofreaxmd]]
-  * [[adf:molgunofareaxms]]+  * [[adf:cvd|ReaxFF-Molecule Gun:模拟Ge(001)上的氧化铝薄膜CVD形成]]
   * [[adf:TSSofReaxFF]]   * [[adf:TSSofReaxFF]]
   * [[adf:cross-linkingratio]]   * [[adf:cross-linkingratio]]
行 44: 行 47:
   * [[adf:stresstensorofreaxff]]   * [[adf:stresstensorofreaxff]]
   * [[adf:geooptunderstressreaxff]]   * [[adf:geooptunderstressreaxff]]
 +  * [[adf:slabsandliquidsystem]]
   * [[adf:linearRegressionofgraph]]   * [[adf:linearRegressionofgraph]]
   * [[adf:setviloityforcertainregion]]   * [[adf:setviloityforcertainregion]]
行 69: 行 73:
   * [[adf:expansion]]   * [[adf:expansion]]
   * [[https://www.bilibili.com/video/BV1Za411T76V|ReaxFF模拟煤的热解]]   * [[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]] 
   * [[adf:PESExpClusterGrowthCo8]]   * [[adf:PESExpClusterGrowthCo8]]
   * [[adf:pesexploration]]   * [[adf:pesexploration]]
   * [[adf:pesexploration2]]   * [[adf:pesexploration2]]
 +  * [[adf:acereactionnetwork]]
 +  * [[adf:isothermcurveofadsorption]]
  
 ====建模==== ====建模====
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   * [[adf:highdensity]]   * [[adf:highdensity]]
  
 +====键级====
  
- +[[adf:bondorderofMovie]]
  
  
adf/reaxams.1704873627.txt.gz · 最后更改: 2024/01/10 16:00 由 liu.jun

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