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version_history [2019/08/14 07:05] – [6.1] vondeleversion_history [2019/12/23 14:18] – [Trunk (7.0, development)] oschuett
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 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)
  
-  * CP2K + SIRIUS now uses CP2K style input for its Plane Wave calculations ([[inp>FORCE_EVAL/PW_DFT]])]. See also [[howto:running_qe_computation | tutorial]] to create a CP2K+SIRIUS input from a QuantumEspresso example input.+  * SIRIUSPlane Wave module with GPU support, see also [[howto:running_qe_computation | this tutorial]] for Quantum ESPRESSO users. 
 +  * xTB: Tight-binding module based on [[doi>10.1021/acs.jctc.7b00118]] 
 +  * RPA / GW / MP2: migrated to DBCSR tensors. 
 +  * HELIUM: New canonical worm algorithm based on [[doi>10.1103/PhysRevE.74.036701]]. 
 +  * XAS_TDP: X-ray absorption spectra simulations using linear-response TDDFT. 
 +  * NEGF: Contact-specific temperature, correct shift and scale factors. 
 +  * S-ALMO: Major refactoring, added wide variety of options. 
 +  * CDFT: Cleanup and bug fixing. 
 +  * FPGA interface for pw FFT. 
 +  * Updated libraries: DBCSR, ELPA, libint, libxc, libxsmm. 
 +  * Development moved from SVN to Git
 ===== 6.1 ===== ===== 6.1 =====
  
version_history.txt · Last modified: 2024/01/10 13:26 by oschuett