version_history
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version_history [2019/08/07 15:47] – [6.1] vondele | version_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:// | Features available or under development in the latest git version (https:// | ||
+ | * SIRIUS: Plane Wave module with GPU support, see also [[howto: | ||
+ | * xTB: Tight-binding module based on [[doi> | ||
+ | * RPA / GW / MP2: migrated to DBCSR tensors. | ||
+ | * HELIUM: New canonical worm algorithm based on [[doi> | ||
+ | * XAS_TDP: X-ray absorption spectra simulations using linear-response TDDFT. | ||
+ | * NEGF: Contact-specific temperature, | ||
+ | * S-ALMO: Major refactoring, | ||
+ | * 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 ===== | ||
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* Projection-operator adiabatization (POD) method | * Projection-operator adiabatization (POD) method | ||
- | * CP2K can now do Plane Wave ([[inp> | + | * CP2K can now do Plane Wave calculations |
* Include NVIDIA P100 kernels for DBCSR | * Include NVIDIA P100 kernels for DBCSR | ||
* Update toolchain | * Update toolchain |
version_history.txt · Last modified: 2024/01/10 13:26 by oschuett