Skip to content

Issues: aiida-vasp/aiida-vasp

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

79 Open 272 Closed
79 Open 272 Closed
Author
Filter by author
Label
Filter by label
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Milestones
Filter by milestone
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

Remove verbose input and use verbosity levels from the logs code quality Changes that enhance the code base in terms of readability, structure, cleanliness, etc
#703 opened Apr 23, 2024 by JPchico
@JPchico
Centralize the tests into a test directory code quality Changes that enhance the code base in terms of readability, structure, cleanliness, etc
#700 opened Apr 16, 2024 by JPchico
Change linter to ruff+mypy
#696 opened Apr 13, 2024 by JPchico
3
Add EFG parser
#684 opened Mar 29, 2024 by mp-cms
1
Citation for aiida-vasp
#683 opened Mar 17, 2024 by martin-schlipf
1
WAVEDER file is not copied to a restart calculation feature
#678 opened Nov 16, 2023 by hujay2019
3 tasks done
1
How to take over WAVECAR or CHGCAR
#677 opened Oct 17, 2023 by Kaikennokuro
1
I can't see outputs.relax.structure
#676 opened Sep 11, 2023 by Kaikennokuro
4
The calculation can fail due to the structure not being sorted
#635 opened Apr 27, 2023 by JPchico
@JPchico
Fix remaining documentation updates
#634 opened Apr 19, 2023 by espenfl
13 tasks
Making use of the new CalcJob monitor interface in aiida-core >= 2.2.0
#629 opened Feb 11, 2023 by zhubonan
No POTCAR family available
#628 opened Feb 10, 2023 by SmallBearC
5
Parsing and pass velocities in CONTCAR
#604 opened Aug 19, 2022 by zhubonan
2
Discussion: error correction framework feature
#591 opened Jun 3, 2022 by zhubonan
32
Iteration numbers of repeated VASP runs in relax.convergence_max_iterations
#585 opened May 13, 2022 by atztogo
2
Priority of incar parameters
#583 opened May 9, 2022 by gpetretto
4
Definition of position delta in compare_structures
#569 opened Dec 23, 2021 by atztogo
3
Smearing inputs in BandsWorkChain
#567 opened Dec 20, 2021 by lan496
Cannot control smearing parameters in extracting DOS and bands in MasterWorkChain
#557 opened Dec 6, 2021 by lan496
fermi_level
#550 opened Nov 29, 2021 by atztogo
8
Insertion of crystal structure refinement between VASP calculations in relax workchain
#546 opened Nov 24, 2021 by atztogo
3
Merge docstrings of parsers
#534 opened Nov 12, 2021 by espenfl
Should available quantities and entries in parser be None if not available
#532 opened Nov 12, 2021 by espenfl
7
Use last structure from a VaspRelaxWorkchain failed with exit code 401 (maximum number of iterations exceeded)
#512 opened Jul 19, 2021 by sylviancadars
4
[Error report] Tutorial 3 - Equilibrium volume of FCC Si, take 2
#509 opened Jul 10, 2021 by Chengcheng-Xiao
2 of 3 tasks
3
ProTip! Add no:assignee to see everything that’s not assigned.