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14 Open 46 Closed
14 Open 46 Closed
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Issues list

Many tests are failing with latest version of CP2K
#220 opened Nov 5, 2024 by oschuett
1
Support restart from The maximum number of optimization steps reached. enhancement
#219 opened Sep 24, 2024 by superstar54
Workchain restart tests are very brittle
#214 opened Mar 23, 2024 by oschuett
3
Lumo index not matching initial number of electrons in spin channel 1/2 question
#208 opened Feb 29, 2024 by cpignedoli
@yakutovicha
Improve restart handler
#201 opened Oct 30, 2023 by cpignedoli
Wrong assumption for LUMO
#182 opened Mar 13, 2023 by cpignedoli
The restart_incomplete_calculation runs only one time
#174 opened Nov 22, 2022 by yakutovicha
Explicit indication of supported Python versions. enhancement
#168 opened Nov 21, 2022 by yakutovicha
@yakutovicha
Feature: DOS parsing
#146 opened Jul 29, 2021 by dev-zero
2
Addition of an atomic forces parser
#144 opened Jul 16, 2021 by sshepherd637
6
Problem with PROJECT and PROJECT_NAME sections
#141 opened May 6, 2021 by sylviancadars
1
How to set multiple basis set files in aiida-cp2k builder
#139 opened May 3, 2021 by sylviancadars
4
KeyError happened when use Cp2kBaseWorkChain to do a NEB calculation
#107 opened Jun 4, 2020 by xjf729
1
Use touch EXIT to stop CP2K at walltime end
#51 opened Oct 9, 2019 by danieleongari
6
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