version_history
Differences
This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
version_history [2019/12/17 16:32] – [Trunk (7.0, development)] oschuett | version_history [2020/08/21 10:15] – external edit 127.0.0.1 | ||
---|---|---|---|
Line 3: | Line 3: | ||
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 (7.0, development) ===== | + | ===== Trunk (8.0, development) ===== |
Features available or under development in the latest git version (https:// | Features available or under development in the latest git version (https:// | ||
+ | * OpenMP refactoring and speed-ups for one electron integrals | ||
+ | * Response code for polarizabilities: | ||
+ | * Response code for polarizabilities: | ||
+ | * Harris functional based on Kohn-Sham density | ||
+ | * TDDFPT code refactoring, | ||
+ | * Interface to GRRM17 code | ||
+ | |||
- | | + | ===== 7.1 ===== |
- | * RPA / GW / MP2 | + | |
- | * HELIUM | + | == Released December 24, 2019 == |
- | * XAS_TDP: X-ray absorption spectra simulations using linear-response TDDFT | + | |
- | * PINT | + | * xTB: Tight-binding module based on [[doi> |
- | * ERI-MME | + | * RPA / GW / MP2: migrated to DBCSR tensors. |
- | * NEGF | + | * HELIUM: New canonical worm algorithm based on [[doi> |
- | * FPGA interface for pw fft | + | * XAS_TDP: X-ray absorption spectra simulations using linear-response TDDFT. |
- | * CDFT | + | * NEGF: Contact-specific temperature, |
- | * S-ALMO | + | * S-ALMO: Major refactoring, |
- | * K-Points | + | * CDFT: Cleanup and bug fixing. |
- | * TDDFPT | + | * FPGA interface for pw FFT. |
* Updated libraries: DBCSR, ELPA, libint, libxc, libxsmm. | * Updated libraries: DBCSR, ELPA, libint, libxc, libxsmm. | ||
- | * Moved from SVN to Git | + | * The cp2k_shell was integrated into the main binary, simply call cp2k with '' |
+ | * Development moved from SVN to Git | ||
===== 6.1 ===== | ===== 6.1 ===== | ||
version_history.txt · Last modified: 2024/01/10 13:26 by oschuett