CP2K Open Source Molecular Dynamics

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version_history [2021/05/28 10:36] – oschuettversion_history [2021/05/28 10:40] – [8.2] oschuett
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   * Speedup grid kernels, especially non-orthorhombic on CPU and integrate on GPU   * Speedup grid kernels, especially non-orthorhombic on CPU and integrate on GPU
 +  * Upgrade to COSMA 2.5 ([[ https://github.com/cp2k/cp2k/issues/1303  |#1303 ]])
   * Add support for ARM64   * Add support for ARM64
   * Drop support for GCC 6 ([[ https://github.com/cp2k/cp2k/issues/1203 |#1203]])   * Drop support for GCC 6 ([[ https://github.com/cp2k/cp2k/issues/1203 |#1203]])
-  * Upgrade to COSMA 2.5 ([[ https://github.com/cp2k/cp2k/issues/1303  |#1303 ]]) 
   * Upgrade to LibXC 5 and [[https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/XC/XC_FUNCTIONAL.html|harmonize its input]] with built in functionals   * Upgrade to LibXC 5 and [[https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/XC/XC_FUNCTIONAL.html|harmonize its input]] with built in functionals
   * xTB/DFTB: Add stress tensor with efield   * xTB/DFTB: Add stress tensor with efield
version_history.txt · Last modified: 2024/01/10 13:26 by oschuett