CP2K Open Source Molecular Dynamics

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version_history [2020/01/08 15:15] – [Trunk (8.0, development)] jhutterversion_history [2020/01/08 15:15] – [Trunk (8.0, development)] jhutter
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   * OpenMP refactoring and speed-ups for one electron integrals   * OpenMP refactoring and speed-ups for one electron integrals
   * Response code for polarizabilities: add finite difference debug code   * Response code for polarizabilities: add finite difference debug code
-                                        hybrid functionals and ADMM+  * Response code for polarizabilities: hybrid functionals and ADMM
   * 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
version_history.txt · Last modified: 2024/01/10 13:26 by oschuett