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Issues list

CMake can't find several packages from the toolchain
#3416 opened May 15, 2024 by oschuett
6 tasks
CMake can't find spglib on Ubuntu/Debian
#3414 opened May 15, 2024 by oschuett
torsion colvar and dihedral_angle sign difference
#3405 opened May 6, 2024 by jtfuller3
Potential Bug: Space group not maintained during cell optimization despite KEEP_SPACE_GROUP=T bug Something isn't working
#3384 opened May 1, 2024 by zhangbw20
Error: corrupted size vs. prev_size when running cp2k on cluster
#3376 opened Apr 26, 2024 by HemanthHaridas
3
Error compiling cp2k "cuInit failed with error"
#3369 opened Apr 25, 2024 by gcpmendez
1
cmake configure failed because of COMSA-2.6.6
#3364 opened Apr 23, 2024 by AntEffect
1
MPI tests on s390x
#3362 opened Apr 23, 2024 by LecrisUT
How to set pseudo-hydrogen?
#3347 opened Apr 6, 2024 by wankiwi
Rerun slow regtest once more before flagging it enhancement New feature or request
#3341 opened Mar 28, 2024 by oschuett
Migration to ctest
#3314 opened Mar 11, 2024 by LecrisUT
4
MGGA functionals for ROKS and SIC methods enhancement New feature or request
#3303 opened Mar 6, 2024 by juerghutter
Segfault in ELPA bug Something isn't working
#3297 opened Mar 4, 2024 by oschuett
3
Problem Compiling CP2K
#3287 opened Feb 25, 2024 by Darkasleif
Check required version of SIRIUS at startup
#3286 opened Feb 25, 2024 by oschuett
Feature Request: Non-local vdW functionals for ENERGY_CORRECTION (HARRIS/DC) enhancement New feature or request
#3277 opened Feb 22, 2024 by juerghutter
[Feature Request] GPU Resident Single Precision and Mixed Precision for GEEP QMMM
#3263 opened Feb 10, 2024 by jobs-git
Added TARGET_ GROWTH, Shake Lagrangian Multipliers only increase without decreasing
#3253 opened Jan 30, 2024 by chenyuping6
Request to add the function of "outputting <S**2> of excited state" enhancement New feature or request
#3252 opened Jan 28, 2024 by djjj148
The Fortran 77 implementation of NEWUOA/UOBYQA is buggy and challenging to maintain. Switch to the PRIMA implementation? dependencies Pull requests that update a dependency file
#3202 opened Jan 7, 2024 by zaikunzhang
4
WARNING in fm/cp_fm_elpa.F:522 :: Setting real_kernel for ELPA failed
#3144 opened Dec 2, 2023 by chenweiguang2017
1
Problem with combining coordination numbers as one collective variable
#3126 opened Nov 23, 2023 by wxwth
Stress Tensor and MGGA functionals
#3103 opened Nov 9, 2023 by marci73
1
Hard Convergence of SCF using OT algorithm within PERIODIC_EFIELD
#3089 opened Nov 2, 2023 by yonghao-zhu
Regtest failures on ppc64le
#3077 opened Oct 29, 2023 by opoplawski
5
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