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version_history [2019/08/14 07:04] – [Trunk (7.0, development)] vondeleversion_history [2019/12/17 16:32] – [Trunk (7.0, development)] oschuett
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   * CP2K + SIRIUS now uses CP2K style input for its Plane Wave calculations ([[inp>FORCE_EVAL/PW_DFT]])]. See also [[howto:running_qe_computation | a tutorial]] to create a CP2K+SIRIUS input from a QuantumEspresso example input.   * CP2K + SIRIUS now uses CP2K style input for its Plane Wave calculations ([[inp>FORCE_EVAL/PW_DFT]])]. See also [[howto:running_qe_computation | a tutorial]] to create a CP2K+SIRIUS input from a QuantumEspresso example input.
 +  * RPA / GW / MP2
 +  * HELIUM
 +  * XAS_TDP: X-ray absorption spectra simulations using linear-response TDDFT
 +  * PINT
 +  * ERI-MME
 +  * NEGF
 +  * FPGA interface for pw fft
 +  * CDFT
 +  * S-ALMO
 +  * K-Points
 +  * TDDFPT
 +  * Updated libraries: DBCSR, ELPA, libint, libxc, libxsmm.
 +  * Moved from SVN to Git
 ===== 6.1 ===== ===== 6.1 =====
  
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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]]. See also [[howto:running_qe_computation | a tutorial]] to create a CP2K+SIRIUS input from a QuantumEspresso example input.+  * CP2K can now do Plane Wave calculations using CPU and GPUbased on an electronic structure library [[https://github.com/electronic-structure/SIRIUS|SIRIUS]]
   * 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