CP2K Open Source Molecular Dynamics

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version_history [2020/01/08 15:15] – [Trunk (8.0, development)] jhutterversion_history [2020/02/28 09:53] – [7.1] oschuett
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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
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   * FPGA interface for pw FFT.   * FPGA interface for pw FFT.
   * Updated libraries: DBCSR, ELPA, libint, libxc, libxsmm.   * Updated libraries: DBCSR, ELPA, libint, libxc, libxsmm.
 +  * The cp2k_shell was integrated into the main binary, simply call cp2k with ''-s'' or ''--shell''.
   * Development moved from SVN to Git   * Development moved from SVN to Git
  
version_history.txt · Last modified: 2024/01/10 13:26 by oschuett