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Pull requests: cp2k/cp2k

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Pull requests list

Fix cp2k_env exporting
#5106 opened Apr 27, 2026 by Growl1234 Contributor Loading…
lsGW: minor bugfix for read of restart files
#5105 opened Apr 27, 2026 by MGraml Contributor Loading…
Add spack OpenMPI debug tester (pdbg)
#5104 opened Apr 27, 2026 by mkrack Member Loading…
Improve GAPW one-center atom-grid performance
#5103 opened Apr 26, 2026 by DCM-Uni-Paderborn Contributor Loading…
@juerghutter
5
grid: improve OpenMP use in task setup and memory loops
#5099 opened Apr 25, 2026 by DCM-Uni-Paderborn Contributor Loading…
5
openPMD output: Implement missing scientific metadata
#5096 opened Apr 24, 2026 by franzpoeschel Contributor Loading…
1 of 2 tasks
[WIP] Skala functional via GauXC for XC energy evaluation using deep learning models
#5084 opened Apr 20, 2026 by franzpoeschel Contributor Loading…
10 tasks
pcc: Add input handling and KS integration for planar countercharge and PAEP
#5064 opened Apr 14, 2026 by ZiweiChai • Draft
9
ProTip! What’s not been updated in a month: updated:<2026-03-27.