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version_history [2018/01/11 21:07]
78.154.115.76
version_history [2019/08/14 07:05] (current)
vondele [6.1]
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 Here you can see which new features / functionality are available in the released versions of CP2K Here you can see which new features / functionality are available in the released versions of CP2K
  
-===== Trunk (6.0, development) =====+===== Trunk (7.0, development) =====
  
-Features available or under development in the latest ​SVN version+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 | a tutorial]] to create a CP2K+SIRIUS input from a QuantumEspresso example input. 
 +===== 6.1 ===== 
 + 
 +=== Released June 11, 2018 (r18464) ===
  
   * Projection-operator adiabatization (POD) method   * Projection-operator adiabatization (POD) method
 +  * CP2K can now do Plane Wave calculations using CPU and GPU, based on an electronic structure library [[https://​github.com/​electronic-structure/​SIRIUS|SIRIUS]]
 +  * Include NVIDIA P100 kernels for DBCSR
 +  * Update toolchain
 +  * Prevent ELPA diagonalization crashes with small matrices and/or large core counts
 +  * Faster routines for reading and writing cube files using MPI I/O
 +  * Docker based tests
 +
 ===== 5.1 ===== ===== 5.1 =====
  
 === Released October 24, 2017  (r18096) === === Released October 24, 2017  (r18096) ===
- 
  
   * Sparse tensor framework based on DBCSR   * Sparse tensor framework based on DBCSR
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   * Maximum Overlap Method (MOM)   * Maximum Overlap Method (MOM)
   * Modified Atomic Orbitals (MAO) Analysis   * Modified Atomic Orbitals (MAO) Analysis
-  * Easier installation with an improved [[src>cp2k/tools/​toolchain/​install_cp2k_toolchain.sh|toolchain]]+  * Easier installation with an improved [[src>​tools/​toolchain/​install_cp2k_toolchain.sh|toolchain]]
   * Improved Development Tools: [[dev:​formattingconventions|prettifier]],​ [[https://​apidoc.cp2k.org|API documentation]]   * Improved Development Tools: [[dev:​formattingconventions|prettifier]],​ [[https://​apidoc.cp2k.org|API documentation]]
   * Improved [[dev:​codingconventions|Coding Standards]]   * Improved [[dev:​codingconventions|Coding Standards]]
   * More collective variables   * More collective variables
   * [[howto:​cp2k_omen|Transport with Omen:]] improvements   * [[howto:​cp2k_omen|Transport with Omen:]] improvements
-  * [[src>cp2k/src/​start/​libcp2k.h|libcp2k.h]] interface (C/C++ header) ​+  * [[src>​src/​start/​libcp2k.h|libcp2k.h]] interface (C/C++ header) ​
   * Remote Memory Access (RMA) for future architectures   * Remote Memory Access (RMA) for future architectures
   * Various performance improvements and bug fixes   * Various performance improvements and bug fixes
version_history.1515704845.txt.gz · Last modified: 2018/01/11 21:07 by 78.154.115.76