CP2K Open Source Molecular Dynamics

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version_history [2019/08/14 07:05] – [6.1] vondeleversion_history [2019/12/17 16:55] – [Trunk (7.0, development)] jhutter
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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
 +  * xTB Tight-binding module
 +  * Updated libraries: DBCSR, ELPA, libint, libxc, libxsmm.
 +  * Moved from SVN to Git
 ===== 6.1 ===== ===== 6.1 =====
  
version_history.txt · Last modified: 2024/01/10 13:26 by oschuett