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Commits : Listings

Analyzed 1 day ago. based on code collected 1 day ago.
May 13, 2023 — May 13, 2024
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Add Badges! More... 19 days ago
Introduce SETPOSFILE as a command in cp2k_shell More... 19 days ago
EMD: output (#3373)
Marcella Iannuzzi
as marcella
More... 19 days ago
HFXLR using erfx/x potential (#3370)
Jürg Hutter
as Juerg Hutter
More... 20 days ago
Accept H100 and reuse A100 tuned parameters w/ ARCH_NUMBER=90 More... 21 days ago
Extra argument about number of repetitions of a kernel More... 21 days ago
Remove regtest for print Wannier and Cube in LOW SPIN ROKS More... 21 days ago
Toolchain: Verify checksum of DeePMD tar-ball More... 21 days ago
Intel oneapi-hpckit 2023.2.1 -> 2024.0.1 More... 22 days ago
PW: Push FFT normalization downstream More... 22 days ago
PW: Use constants to pass FFT direction More... 22 days ago
TODO comment More... 22 days ago
pretty More... 22 days ago
Two new subroutines which give correct determinant signs even in parallel environment with any number of ranks and threads More... 22 days ago
Slightly revised build_3c_integrals (#3360) More... 22 days ago
Better leverage mathconstants module (#3359) More... 23 days ago
Synchronize with Fedora downstream More... 26 days ago
MP2: Fix block size More... 26 days ago
Add option to export GW spectral function only for specific levels More... 28 days ago
Bump gunicorn from 21.2.0 to 22.0.0 in /tools/precommit More... 28 days ago
E-field restart and output (#3354)
Marcella Iannuzzi
as marcella
More... 29 days ago
AS: Add truncated Coulomb potential More... about 1 month ago
AS: Perform second contraction step with FM instead of DBCSR More... about 1 month ago
Fix format in benchmark input file More... about 1 month ago
Manual: Add support for youtube videos More... about 1 month ago
Update arch files More... about 1 month ago
Remove false warning More... about 1 month ago
Remove BROYDEN_MIXING_NEW option (#3346) More... about 1 month ago
Sync pseudopotential database files with cp2k-data repository More... about 1 month ago
Set CPABORT to PRINT MO_CUBES and WANNIER_CENTERS in the LOW SPIN ROKS method More... about 2 months ago