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Pull requests: cp2k/cp2k

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Pull requests list

Add image tag name flag to usage example in the dockerfile headers
#5097 opened Apr 24, 2026 by mkrack Member Loading…
openPMD output: Implement missing scientific metadata
#5096 opened Apr 24, 2026 by franzpoeschel Contributor Loading…
1 of 2 tasks
FIST: add silicon EIP Stillinger-Weber and Tersoff models
#5095 opened Apr 24, 2026 by DCM-Uni-Paderborn Contributor Loading…
4
Adjust regtests introduced in #5086 for numerical stability
#5091 opened Apr 23, 2026 by he-zilong Contributor Loading…
5
[WIP] Skala functional via GauXC for XC energy evaluation using deep learning models
#5084 opened Apr 20, 2026 by franzpoeschel Contributor Loading…
10 tasks
Toolchain: Replace "scripts/generate_cmake_options.sh" with "build_cp2k.sh"
#5080 opened Apr 20, 2026 by Growl1234 Contributor Loading…
23
pcc: Add input handling and KS integration for planar countercharge and PAEP
#5064 opened Apr 14, 2026 by ZiweiChai • Draft
9
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