CP2K Open Source Molecular Dynamics

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version_history [2020/02/28 09:54] – [7.1] oschuettversion_history [2020/11/13 14:06] – oschuett
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   * Harris functional based on Kohn-Sham density   * Harris functional based on Kohn-Sham density
   * TDDFPT code refactoring, add sTDA kernel, xTB/sTDA method   * TDDFPT code refactoring, add sTDA kernel, xTB/sTDA method
-  * Interface to GRRM17 code                                     +  * Interface to GRRM17 code 
 +  * NNP: Behler-Parrinello Neural Network Potentials
                                                                                
  
version_history.txt · Last modified: 2024/01/10 13:26 by oschuett