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- SIRIUS: Plane Wave module with GPU support, see also 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.
- The cp2k_shell was integrated into the main binary, simply call cp2k with
- Development moved from SVN to Git.
v6.1.0 CP2K release 6.1.0