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version_history [2018/01/11 21:07] 78.154.115.76 |
version_history [2018/10/08 19:57] (current) oschuett |
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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 SVN version | ||
+ | |||
+ | ===== 6.1 ===== | ||
+ | |||
+ | === Released June 11, 2018 (r18464) === | ||
* Projection-operator adiabatization (POD) method | * Projection-operator adiabatization (POD) method | ||
+ | * 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 |