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Pull requests: cp2k/cp2k

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Pull requests list

Follow up GauXC/SKALA integration after #5084
#5244 opened May 18, 2026 by DCM-Uni-Paderborn Contributor Loading…
Reuse SCF k-point dipoles in MOMENTS output
#5241 opened May 18, 2026 by DCM-Uni-Paderborn Contributor Loading…
1
Rewrite documentation of molecular dynamics and structure optimization
#5240 opened May 18, 2026 by Growl1234 Contributor Loading…
12
Rename spack psmp tester and add new gcc 16 tester
#5239 opened May 18, 2026 by mkrack Member Loading…
1
Add Adaptively Compressed Exchange (ACE) option for hybrid DFT ground-state calculations
#5238 opened May 18, 2026 by ritama1996 Loading…
8
automatic detection of functional for d4
#5178 opened May 12, 2026 by jpoto Contributor • Draft
4
pcc: Add input handling and KS integration for planar countercharge and PAEP
#5064 opened Apr 14, 2026 by ZiweiChai • Draft
11
ProTip! Follow long discussions with comments:>50.