| 两侧同时换到之前的修订记录前一修订版后一修订版 | 前一修订版 |
| adf:reaxams [2023/12/27 14:44] – liu.jun | adf:reaxams [2024/04/26 20:48] (当前版本) – liu.jun |
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| * [[https://www.scm.com/doc/ReaxFF/Included_Forcefields.html|AMS-ReaxFF包含哪些力场]] | * [[https://www.scm.com/doc/ReaxFF/Included_Forcefields.html|AMS-ReaxFF包含哪些力场]] |
| * **[[https://www.scm.com/doc/params/index.html|用Advanced WF模块的ParAMS优化、训练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/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]] |
| <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:stresstensorofreaxff]] | * [[adf:stresstensorofreaxff]] |
| * [[adf:geooptunderstressreaxff]] | * [[adf:geooptunderstressreaxff]] |
| | * [[adf:slabsandliquidsystem]] |
| * [[adf:linearRegressionofgraph]] | * [[adf:linearRegressionofgraph]] |
| * [[adf:setviloityforcertainregion]] | * [[adf:setviloityforcertainregion]] |
| * [[adf:PESExpClusterGrowthCo8]] | * [[adf:PESExpClusterGrowthCo8]] |
| * [[adf:pesexploration]] | * [[adf:pesexploration]] |
| * [[https://www.scm.com/doc/Tutorials/StructureAndReactivity/PESExpWaterDissociationOnZnO.html|PES Exploration：氧化物表面的水离解]] | * [[adf:pesexploration2]] |
| | * [[adf:acereactionnetwork]] |
| | * [[adf:isothermcurveofadsorption]] |
| |
| ====建模==== | ====建模==== |
| * [[adf:highdensity]] | * [[adf:highdensity]] |
| |
| | ====键级==== |
| |
| | [[adf:bondorderofMovie]] |
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