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Get rid of the Docker image

discussion

question

Status: Open.

#226 In aiidateam/aiida-cp2k;

· yakutovicha opened on Jan 30, 2025

Re-enable <code>example_base_md_reftraj_restart.py</code>

Status: Open.

#225 In aiidateam/aiida-cp2k;

· yakutovicha opened on Jan 27, 2025

Parsing issue with MOTION/CELL_OPT/TYPE GEO_OPT

Status: Open.

#221 In aiidateam/aiida-cp2k;

· sylviancadars opened on Dec 18, 2024

Lumo index not matching initial number of electrons in spin channel 1/2

question

Status: Open.

#208 In aiidateam/aiida-cp2k;

· cpignedoli opened on Feb 29, 2024

Improve restart handler

Status: Open.

#201 In aiidateam/aiida-cp2k;

· cpignedoli opened on Oct 30, 2023

Wrong assumption for LUMO

Status: Open.

#182 In aiidateam/aiida-cp2k;

· cpignedoli opened on Mar 13, 2023

Explicit indication of supported Python versions.

enhancement

Status: Open.

#168 In aiidateam/aiida-cp2k;

· yakutovicha opened on Nov 21, 2022

Feature: DOS parsing

Status: Open.

#146 In aiidateam/aiida-cp2k;

· dev-zero opened on Jul 29, 2021

Addition of an atomic forces parser

Status: Open.

#144 In aiidateam/aiida-cp2k;

· sshepherd637 opened on Jul 16, 2021

Problem with PROJECT and PROJECT_NAME sections

Status: Open.

#141 In aiidateam/aiida-cp2k;

· sylviancadars opened on May 6, 2021

How to set multiple basis set files in aiida-cp2k builder

Status: Open.

#139 In aiidateam/aiida-cp2k;

· sylviancadars opened on May 3, 2021

<code>KeyError</code> happened when use <code>Cp2kBaseWorkChain</code> to do a NEB calculation

Status: Open.

#107 In aiidateam/aiida-cp2k;

· xjf729 opened on Jun 4, 2020