# \#plugin **URL:** https://aiida.discourse.group/tag/plugin/9.md [Latest](https://aiida.discourse.group/latest.md) · [Categories](https://aiida.discourse.group/categories.md) · [Tags](https://aiida.discourse.group/tags.md) --- ## [NEB implementation in Aiida WOrkgraph for QE](https://aiida.discourse.group/t/neb-implementation-in-aiida-workgraph-for-qe/535)
**Author:** [@Andrea](https://aiida.discourse.group/u/Andrea)\ **Replies:** 5\ **Last updated:** [November 3, 2026, 8:03pm UTC](https://aiida.discourse.group/t/neb-implementation-in-aiida-workgraph-for-qe/535 "2026-11-03T20:03:53Z")
Hi everyone, I have recently started to adopt Aiida in my research and so far i am blasted by its many functionalities. Kudos for the great work! Currently i am using the workgraph logic paired within the Quantum Espr… --- ## [AiiDA-ABINIT: JTH XML (PAW) pseudo upload fails, PSP8 works](https://aiida.discourse.group/t/aiida-abinit-jth-xml-paw-pseudo-upload-fails-psp8-works/753)
**Author:** [@RRRashmi](https://aiida.discourse.group/u/RRRashmi)\ **Replies:** 4\ **Last updated:** [October 26, 2026, 7:51pm UTC](https://aiida.discourse.group/t/aiida-abinit-jth-xml-paw-pseudo-upload-fails-psp8-works/753 "2026-10-26T19:51:32Z")
Hi, I am encountering a strange issue with AiiDA + ABINIT. Environment AiiDA Core: 2.6.4 aiida-abinit: 0.5.0 (editable local development version) aiida-pseudo: 1.8.0 AbiPy: 0.9.8 (editable local development version) A… --- ## [Error in assigning pseudopotentials to the builder object](https://aiida.discourse.group/t/error-in-assigning-pseudopotentials-to-the-builder-object/681)
**Author:** [@ansonthms](https://aiida.discourse.group/u/ansonthms)\ **Replies:** 6\ **Last updated:** [September 23, 2025, 2:06pm UTC](https://aiida.discourse.group/t/error-in-assigning-pseudopotentials-to-the-builder-object/681 "2025-09-23T14:06:29Z")
Dear all, I am a new user of AiiDA, and was trying the example provided at 1. Quantum ESPRESSO — AiiDA Tutorials documentation My issue is as follows: After initializing the builder, attaching the structure element, a… --- ## [Run only one job on local machine](https://aiida.discourse.group/t/run-only-one-job-on-local-machine/459)
**Author:** [@nkeilbart](https://aiida.discourse.group/u/nkeilbart)\ **Replies:** 3\ **Last updated:** [September 19, 2025, 12:58pm UTC](https://aiida.discourse.group/t/run-only-one-job-on-local-machine/459 "2025-09-19T12:58:52Z")
Hello everyone, I’ve recently been doing development on my local machine and at some point have several jobs that get launched in parallel from a single workchain instance. It seems someone had a similar question Is the… --- ## [Quantumespresso.pw.relax seems to copy label from input to output structures](https://aiida.discourse.group/t/quantumespresso-pw-relax-seems-to-copy-label-from-input-to-output-structures/678)
**Author:** [@ajjackson](https://aiida.discourse.group/u/ajjackson)\ **Replies:** 8\ **Last updated:** [September 17, 2025, 3:12pm UTC](https://aiida.discourse.group/t/quantumespresso-pw-relax-seems-to-copy-label-from-input-to-output-structures/678 "2025-09-17T15:12:48Z")
(Apologies if this should be an Issue against the relevant plugin repo. I see lots of questions about aiida-quantumespresso here so it seemed ok!) I have been trying to use aiida-quantumespresso for geometry relaxation … --- ## [Usage of a homemade plugins](https://aiida.discourse.group/t/usage-of-a-homemade-plugins/632)
**Author:** [@gjoalland13](https://aiida.discourse.group/u/gjoalland13)\ **Replies:** 4\ **Last updated:** [July 24, 2025, 10:58am UTC](https://aiida.discourse.group/t/usage-of-a-homemade-plugins/632 "2025-07-24T10:58:38Z")
Hi all, I am reaching out because I have some questions regarding the writing of plugins. I quickly followed the documentation tutorial, but there is a fundamental concept that I think I am not understanding. I am tryi… --- ## [Save information to parent workchain](https://aiida.discourse.group/t/save-information-to-parent-workchain/630)
**Author:** [@nkeilbart](https://aiida.discourse.group/u/nkeilbart)\ **Replies:** 4\ **Last updated:** [July 16, 2025, 11:53pm UTC](https://aiida.discourse.group/t/save-information-to-parent-workchain/630 "2025-07-16T23:53:13Z")
Hello everyone, I am continuing my development of the aiida-flux-scheduler, Implementing the Flux scheduler from LLNL, and want to save information for the scheduler to the parent workchain. I am wanting to do this with… --- ## [Regarding Workchain Not Executing After Modification](https://aiida.discourse.group/t/regarding-workchain-not-executing-after-modification/622)
**Author:** [@rushikd27](https://aiida.discourse.group/u/rushikd27)\ **Replies:** 5\ **Last updated:** [June 19, 2025, 12:05am UTC](https://aiida.discourse.group/t/regarding-workchain-not-executing-after-modification/622 "2025-06-19T00:05:21Z")
Hi everyone, I was designing some workchains for my VASP calculations, and what I noticed was that every time I changed something and restarted the daemon, it still seemed to execute an older version of the script. Am I… --- ## [Implementing the Flux scheduler from LLNL](https://aiida.discourse.group/t/implementing-the-flux-scheduler-from-llnl/473)
**Author:** [@nkeilbart](https://aiida.discourse.group/u/nkeilbart)\ **Replies:** 11\ **Last updated:** [April 16, 2025, 12:45pm UTC](https://aiida.discourse.group/t/implementing-the-flux-scheduler-from-llnl/473 "2025-04-16T12:45:14Z")
Hello everyone, I am looking to possibly start implementing a scheduler plugin for the Flux scheduler that has been developed here at LLNL. This will be very useful as the next generation of super computers at the lab w… --- ## [How to confirm the XPS simulation in AIIDA-QE tutorial?](https://aiida.discourse.group/t/how-to-confirm-the-xps-simulation-in-aiida-qe-tutorial/520)
**Author:** [@hlim12](https://aiida.discourse.group/u/hlim12)\ **Replies:** 5\ **Last updated:** [January 15, 2025, 12:21pm UTC](https://aiida.discourse.group/t/how-to-confirm-the-xps-simulation-in-aiida-qe-tutorial/520 "2025-01-15T12:21:59Z")
Dear AiiDA developers and users. I’m interested in running the XPS simulation using AiiDA-Quantum Espresso calculation. I followed the tutorial in here: How to calculate XPS spectra — Quantum ESPRESSO App v24.10.0a4-dev … --- ## [Pass curly braces literarily in aiida-shell arguments](https://aiida.discourse.group/t/pass-curly-braces-literarily-in-aiida-shell-arguments/458)
**Author:** [@bilke](https://aiida.discourse.group/u/bilke)\ **Replies:** 3\ **Last updated:** [September 5, 2024, 10:37am UTC](https://aiida.discourse.group/t/pass-curly-braces-literarily-in-aiida-shell-arguments/458 "2024-09-05T10:37:25Z")
@sphuber This may be a question you can answer: In a launch\_shell\_job() I would like to pass some arguments which contain curly braces for doing a brace expansion. For example I would like to run: echo a{d,c,b}e Conve… --- ## [Aiida-vibroscopy: integration with other codes](https://aiida.discourse.group/t/aiida-vibroscopy-integration-with-other-codes/379)
**Author:** [@Federica\_Zanca](https://aiida.discourse.group/u/Federica_Zanca)\ **Replies:** 1\ **Last updated:** [May 5, 2024, 6:07pm UTC](https://aiida.discourse.group/t/aiida-vibroscopy-integration-with-other-codes/379 "2024-05-05T18:07:18Z")
Hi, I was wondering if other Codes than quantum espresso can be used in aiida-vibroscopy (I’m interested in the phonons). I think, after looking at the source code, that the answer is no; in that case I was wondering, … --- ## [Show stored data in provenance graph](https://aiida.discourse.group/t/show-stored-data-in-provenance-graph/367)
**Author:** [@Federica\_Zanca](https://aiida.discourse.group/u/Federica_Zanca)\ **Replies:** 5\ **Last updated:** [April 19, 2024, 9:16pm UTC](https://aiida.discourse.group/t/show-stored-data-in-provenance-graph/367 "2024-04-19T21:16:19Z")
Hi, I am working on implementing a Calcjob for a plugin and I was trying to do the following. My Code (as in the aiida data type code) can take arguments in the command line or in a config file. So when I create the sub… --- ## [How to wrap Executable line into a loop](https://aiida.discourse.group/t/how-to-wrap-executable-line-into-a-loop/366)
**Author:** [@yakutovicha](https://aiida.discourse.group/u/yakutovicha)\ **Replies:** 2\ **Last updated:** [April 17, 2024, 5:29pm UTC](https://aiida.discourse.group/t/how-to-wrap-executable-line-into-a-loop/366 "2024-04-17T17:29:01Z")
Hey :wave: I have a small tool that handles cube files. Among other parameters, the tool expects the input name and output name of the file: cubehandler shrink \[options\] input\_file output\_file I am preparing a plugin … --- ## [Is there a plugin for running python scripts in a specified environment?](https://aiida.discourse.group/t/is-there-a-plugin-for-running-python-scripts-in-a-specified-environment/247)
**Author:** [@cbehren](https://aiida.discourse.group/u/cbehren)\ **Replies:** 7\ **Last updated:** [February 8, 2024, 3:58pm UTC](https://aiida.discourse.group/t/is-there-a-plugin-for-running-python-scripts-in-a-specified-environment/247 "2024-02-08T15:58:14Z")
Hi, I would like to use Aiida for some complex workflows that involve a lot of tasks that can be written downs as python scripts. I would like to launch those scripts as tasks in Aiida, but most of them live in specific … --- ## [Get forces from quantum espresso calc](https://aiida.discourse.group/t/get-forces-from-quantum-espresso-calc/226)
**Author:** [@Federica\_Zanca](https://aiida.discourse.group/u/Federica_Zanca)\ **Replies:** 3\ **Last updated:** [January 30, 2024, 11:36pm UTC](https://aiida.discourse.group/t/get-forces-from-quantum-espresso-calc/226 "2024-01-30T23:36:09Z")
Not sure if this is the place to ask about plugins too so sorry if it’s not. I need to do what is being done here for other structures. In this example the dict\_of\_forces that is computed in quantum espresso is just wri… --- ## [Aiida-diff problem: aiida.common.exceptions.ValidationError: The specified transport is not a valid one](https://aiida.discourse.group/t/aiida-diff-problem-aiida-common-exceptions-validationerror-the-specified-transport-is-not-a-valid-one/231)
**Author:** [@AmberLEE123456](https://aiida.discourse.group/u/AmberLEE123456)\ **Replies:** 3\ **Last updated:** [January 28, 2024, 5:34pm UTC](https://aiida.discourse.group/t/aiida-diff-problem-aiida-common-exceptions-validationerror-the-specified-transport-is-not-a-valid-one/231 "2024-01-28T17:34:40Z")
Hi, I am trying to follow the instruction of aiida-diff in these two webpages: https://aiida.readthedocs.io/projects/aiida-core/en/latest/howto/plugins\_develop.html#how-to-plugins-develop I installed the aiida-diff a… --- ## [AiiDA LAMMPS v1.0.0 release](https://aiida.discourse.group/t/aiida-lammps-v1-0-0-release/179)
**Author:** [@JPchico](https://aiida.discourse.group/u/JPchico)\ **Replies:** 1\ **Last updated:** [November 29, 2023, 9:48pm UTC](https://aiida.discourse.group/t/aiida-lammps-v1-0-0-release/179 "2023-11-29T21:48:55Z")
Dear all I just wanted to announce here that we have just released the version 1.0.0 of the aiida-lammps plugin. This is a plugin to handle molecular dynamics simulations from the LAMMPS simulation package. It includes…