两侧同时换到之前的修订记录前一修订版后一修订版 | 前一修订版后一修订版两侧同时换到之后的修订记录 |
adf:reaxffmodule [2019/07/09 11:27] – liu.jun | adf:reaxffmodule [2020/11/25 12:17] – liu.jun |
---|
<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]] | |
* [[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/ReaxFF/Included_Forcefields.html#forcefields|ADF-ReaxFF包含哪些力场]] | * [[https://www.scm.com/doc/ReaxFF/Included_Forcefields.html#forcefields|AMS-ReaxFF包含哪些力场]] |
| * [[adf:meaningofparameters]] |
</WRAP> | </WRAP> |
| |
* [[adf:OptimizeFF_crystal]] | * [[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://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)]] | * [[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)]] |
| |
<WRAP half column> | <WRAP half column> |
=====功能教程===== | =====功能教程===== |
| * [[adf:hybrid2020]] |
* [[adf:ExternalEF]] | * [[adf:ExternalEF]] |
* [[adf:MDMC]] | * [[adf:MDMC]] |
* [[adf:temperaturecontrol]] | * [[adf:temperaturecontrol]] |
* [[adf:RED]] | * [[adf:RED]] |
* [[adf:GCMC]] | * [[adf:GCMC2019]] |
* [[adf:collapse]] | |
* [[adf:MD-region]] | * [[adf:MD-region]] |
* [[adf:changecell]] | * [[adf:changecell]] |
* [[http://www.fermitech.com.cn/adf/reaxfflocaltemperature/|局域温度分布、原子电荷分布的可视化]] | * [[http://www.fermitech.com.cn/adf/reaxfflocaltemperature/|局域温度分布、原子电荷分布的可视化]] |
* [[adf:ereaxff_moleculargun|eReaxFF与分子枪功能(英文视频教程)]] | * [[adf:ereaxff_moleculargun|eReaxFF与分子枪功能(英文视频教程)]] |
* [[adf:TSSofReaxFF]] | * [[http://www.fermitech.com.cn/adf/adf_intro/newfunctionofreaxff2018|ReaxFF新功能:模拟、分析表面吸附反应]] |
* [[adf:在图形界面上完成其他计算功能]] | |
* [[http://www.fermitech.com.cn/adf/adf_intro/newfunctionofreaxff2018|ReaxFF新功能:模拟、分析表面反应]] | |
* [[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> |
| |
* [[adf:moleculesonsurface]] | * [[adf:moleculesonsurface]] |
* [[adf:creatsurfaceofliquid]] | * [[adf:creatsurfaceofliquid]] |
* [[adf:liq-gas]] | |
| |
</WRAP> | </WRAP> |
</WRAP> | </WRAP> |