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version_history [2020/12/27 21:22] – [Trunk (8.0, development)] oschuettversion_history [2020/12/28 09:57] – [Trunk (8.0, development)] oschuett
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 ===== Trunk (8.0, development) ===== ===== Trunk (8.0, development) =====
 Features available or under development in the latest git version (https://github.com/cp2k/cp2k) Features available or under development in the latest git version (https://github.com/cp2k/cp2k)
 +  * Fix bug affecting ADMM on GPUs (https://github.com/cp2k/cp2k/issues/893)
 +  * Fix bug affecting Amber dihedrals (https://github.com/cp2k/cp2k/issues/984)
 +  * Drop support for Python 2 and non-OpenMP builds
 +  * Add interfaces to GRRM17 code and SCINE code
 +  * Add support for libvori (https://brehm-research.de/voronoi.php)
 +  * Add support for Cosma (https://github.com/eth-cscs/COSMA)
   * 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 debughybrid functionalsand 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
-  * Interface to GRRM17 code 
   * NNP: Behler-Parrinello Neural Network Potentials   * NNP: Behler-Parrinello Neural Network Potentials
 +  * XAS_TDP: Add OT solver and improve performance
 +  * mGGA: Add stress tensor and fix bug (https://github.com/cp2k/cp2k/issues/1116)
 +  * QMMM: Add benchmarks and speedup GEEP with OpenMP
 +  * LS: Add sign calculation based on submatrix method
 +  * ALMO: Add trust region methods
 +  * RI-HFX: Add resolution of identity for Hartree-Fock exchange
 +  * RPA/GW/MP2: Several optimizations and refactoring to low-scaling implementation
   * CUDA: GPU acceleration of collocate and integrate grid operations (experimental)   * CUDA: GPU acceleration of collocate and integrate grid operations (experimental)
                                                                                
version_history.txt · Last modified: 2024/01/10 13:26 by oschuett