CP2K Open Source Molecular Dynamics

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version_history [2019/08/07 15:47] – [6.1] vondeleversion_history [2019/08/14 06:11] – [6.1] vondele
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   * Projection-operator adiabatization (POD) method   * Projection-operator adiabatization (POD) method
-  * CP2K can now do Plane Wave ([[inp>FORCE_EVAL/PW_DFT]]) calculations on CPU and GPU based on [[https://github.com/electronic-structure/SIRIUS|SIRIUS]].+  * CP2K can now do Plane Wave ([[inp>FORCE_EVAL/PW_DFT]]) calculations on CPU and GPU based on [[https://github.com/electronic-structure/SIRIUS|SIRIUS]]. See also [[howto:running_qe_computation | a tutorial]] to create a CP2K+SIRIUS input from a QuantumEspresso example input.
   * Include NVIDIA P100 kernels for DBCSR   * Include NVIDIA P100 kernels for DBCSR
   * Update toolchain   * Update toolchain
version_history.txt · Last modified: 2024/01/10 13:26 by oschuett