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High Activity
Commits
: Listings
Analyzed
1 day
ago. based on code collected
1 day
ago.
May 13, 2023 — May 13, 2024
Showing page 2 of 721
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Cristian Le
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19 days ago
Introduce SETPOSFILE as a command in cp2k_shell
Logan Ward
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19 days ago
EMD: output (#3373)
Marcella Iannuzzi
as marcella
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19 days ago
HFXLR using erfx/x potential (#3370)
Jürg Hutter
as Juerg Hutter
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20 days ago
Accept H100 and reuse A100 tuned parameters w/ ARCH_NUMBER=90
Hans Pabst
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21 days ago
Extra argument about number of repetitions of a kernel
Hans Pabst
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21 days ago
Remove regtest for print Wannier and Cube in LOW SPIN ROKS
IlyaFed
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21 days ago
Toolchain: Verify checksum of DeePMD tar-ball
Ole Schütt
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21 days ago
Intel oneapi-hpckit 2023.2.1 -> 2024.0.1
Matthias Krack
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22 days ago
PW: Push FFT normalization downstream
Frederick Stein
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22 days ago
PW: Use constants to pass FFT direction
Frederick Stein
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22 days ago
TODO comment
Andrey Sinyavskiy
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22 days ago
pretty
Andrey Sinyavskiy
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22 days ago
Two new subroutines which give correct determinant signs even in parallel environment with any number of ranks and threads
Andrey Sinyavskiy
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22 days ago
Slightly revised build_3c_integrals (#3360)
Hans Pabst
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22 days ago
Better leverage mathconstants module (#3359)
Hans Pabst
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23 days ago
Synchronize with Fedora downstream
Cristian Le
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26 days ago
MP2: Fix block size
Frederick Stein
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26 days ago
Add option to export GW spectral function only for specific levels
Mia Schambeck
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28 days ago
Bump gunicorn from 21.2.0 to 22.0.0 in /tools/precommit
dependabot[bot]
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28 days ago
E-field restart and output (#3354)
Marcella Iannuzzi
as marcella
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29 days ago
AS: Add truncated Coulomb potential
Frederick Stein
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about 1 month ago
AS: Perform second contraction step with FM instead of DBCSR
Frederick Stein
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about 1 month ago
Fix format in benchmark input file
Andreas Knüpfer
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about 1 month ago
Manual: Add support for youtube videos
Ole Schütt
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about 1 month ago
Update arch files
Matthias Krack
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about 1 month ago
Remove false warning
Matthias Krack
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about 1 month ago
Remove BROYDEN_MIXING_NEW option (#3346)
Frederick Stein
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about 1 month ago
Sync pseudopotential database files with cp2k-data repository
Matthias Krack
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about 1 month ago
Set CPABORT to PRINT MO_CUBES and WANNIER_CENTERS in the LOW SPIN ROKS method
IlyaFed
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about 2 months ago
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