两侧同时换到之前的修订记录前一修订版后一修订版 | 前一修订版上一修订版两侧同时换到之后的修订记录 |
adf:reaxffmodule [2020/07/14 21:19] – liu.jun | adf:reaxffmodule [2020/11/25 12:33] – liu.jun |
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<WRAP half column> | <WRAP half column> |
* [[adf:ReaxFF模块计算过程中的常见问题及解决]] | * [[adf:ReaxFF模块计算过程中的常见问题及解决]] |
* [[adf:filesofReaxFF]] | * [[adf:OptimizeFF]] |
* [[https://www.scm.com/doc/ReaxFF/index.html|ReaxFF在线英文手册]] | * [[adf:OptimizeFF_crystal]] |
* [[https://www.scm.com/doc/ReaxFF/Included_Forcefields.html#forcefields|AMS-ReaxFF包含哪些力场]] | |
* [[adf:meaningofparameters]] | |
</WRAP> | </WRAP> |
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<WRAP half column> | <WRAP half column> |
* [[adf:OptimizeFF]] | |
* [[adf:OptimizeFF_crystal]] | |
* [[https://www.scm.com/wp-content/uploads/Videos/OptimizingReaxFFParameters.mp4|MCFF方法优化力场视频教程(英文)]] | * [[https://www.scm.com/wp-content/uploads/Videos/OptimizingReaxFFParameters.mp4|MCFF方法优化力场视频教程(英文)]] |
* [[https://downloads.scm.com/distr/ReaxFF-force-field-fitting-CMA-ES.mp4|CMA-ES方法优化力场视频教程(英文)]] | * [[https://downloads.scm.com/distr/ReaxFF-force-field-fitting-CMA-ES.mp4|CMA-ES方法优化力场视频教程(英文)]] |
* [[https://www.scm.com/doc.trunk/Tutorials/Advanced/ReaxFF_parametrization_hands_on_tutorial.html?utm_source=december&utm_medium=email&utm_campaign=newsletter&utm_content=advancedReaxFF|CMA-ES方法优化力场文字教程(英文)]] | |
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</WRAP> | </WRAP> |
</WRAP> | </WRAP> |
* [[adf:PESofReax]] | * [[adf:PESofReax]] |
* [[adf:diffussionofthanol]] | * [[adf:diffussionofthanol]] |
| * [[https://downloads.scm.com/distr/reaxff-bond-boost-webinar.mp4|Bond Boost方法加速反应过程(英文视频)]] |
| * [[https://downloads.scm.com/distr/SCM-Epoxy-Mechanical-Properties-with-ReaxFF.mp4|力学性质计算(英文视频)]] |
| * [[https://www.scm.com/doc/ReaxFF/Properties.html#nemd-methods-for-thermal-conductivity|NEMD方法计算热导率(英文教程)]] |
</WRAP> | </WRAP> |
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