Skip to content

Issues: OrderN/CONQUEST-release

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

45 Open 124 Closed
45 Open 124 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
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

Output more information on pseudopotentials in ion file area: pseudos Relating to the pseudopotential database improves: output Making output clearer or more consistent priority: minor time: hours type: maintenance Refactoring, updating etc
#362 opened Aug 13, 2024 by davidbowler Release v1.4
@davidbowler
Adapt run_tests script to new way of building
#359 opened Jun 27, 2024 by ilectra
@ilectra
Cell constraints not applied for AtomMove.OptCellMethod 3 area: main-source Relating to the src/ directory (main Conquest source code) improves: functionality Adding functionality to code priority: minor time: days type: maintenance Refactoring, updating etc
#358 opened Jun 26, 2024 by davidbowler Release v1.4
@davidbowler
Backtrack line minimisation can fail area: main-source Relating to the src/ directory (main Conquest source code) improves: stability Fix or enhance issues with stability or robustness needs: confirmation Bug or issue needing confirmation priority: minor time: days type: question Issue to be discussed by developers
#343 opened Apr 5, 2024 by davidbowler
@davidbowler
Strange Fermi energy for gapped states
#338 opened Mar 12, 2024 by tsuyoshi38
Output error with variable spin and Methfessel-Paxton smearing area: main-source Relating to the src/ directory (main Conquest source code) improves: stability Fix or enhance issues with stability or robustness priority: minor time: hours type: bug
#336 opened Feb 27, 2024 by davidbowler
@davidbowler
add topics
#325 opened Feb 9, 2024 by Beliavsky
Possible bug when running on one MPI process needs: diagnosis Diagnosis required for bug or issue type: bug
#321 opened Feb 7, 2024 by tkoskela
@tkoskela
5
Turn pointers into allocatables in structures
#296 opened Dec 19, 2023 by tkoskela Release v1.5
@tkoskela
1
Further threading ideas: spin and van der Waals area: main-source Relating to the src/ directory (main Conquest source code) help wanted Extra attention is needed type: question Issue to be discussed by developers
#278 opened Oct 10, 2023 by davidbowler
Make develop the default branch? help wanted Extra attention is needed type: request User request for new feature
#277 opened Oct 9, 2023 by tkoskela
@davidbowler @tkoskela
Document benchmark systems area: testing Relating to the test suite type: enhancement Planned enhancement being suggested by developers
#275 opened Oct 4, 2023 by ilectra
@davidbowler
Ensure that all file open commands fail gracefully area: main-source Relating to the src/ directory (main Conquest source code) improves: stability Fix or enhance issues with stability or robustness priority: minor time: days type: maintenance Refactoring, updating etc
#273 opened Sep 27, 2023 by davidbowler Release v1.4
@davidbowler
Overlap communication with computation in multiply_module
#265 opened Sep 20, 2023 by tkoskela
@ilectra
2
Run weak scaling tests
#264 opened Sep 20, 2023 by tkoskela
@tkoskela
3
Think about threaded ScaLAPACK alternatives for eigenvalue solve improves: speed Speed-up of code type: question Issue to be discussed by developers
#252 opened Aug 29, 2023 by tkoskela
Idea: Test do concurrent area: main-source Relating to the src/ directory (main Conquest source code) priority: minor time: days
#250 opened Aug 24, 2023 by tkoskela
Include KE forces in Pulay forces area: main-source Relating to the src/ directory (main Conquest source code) priority: minor time: hours type: maintenance Refactoring, updating etc
#234 opened Aug 2, 2023 by davidbowler Release v1.4
@davidbowler
Cell optimisation without neutral atom potential can fail area: main-source Relating to the src/ directory (main Conquest source code) improves: stability Fix or enhance issues with stability or robustness priority: minor time: days type: bug
#230 opened Jul 31, 2023 by davidbowler Release v1.4
@davidbowler
How to determine the matrix size of padded Hamiltonian (Padding Hamiltonian Matrix)
#223 opened Jul 20, 2023 by tsuyoshi38
3 tasks
@tsuyoshi38
5
Possible memory access error in XC routines area: main-source Relating to the src/ directory (main Conquest source code) improves: stability Fix or enhance issues with stability or robustness needs: diagnosis Diagnosis required for bug or issue priority: minor time: days type: bug
#221 opened Jul 20, 2023 by davidbowler
@davidbowler
Changes needed in readDiagInfo in initial_read_module.f90
#220 opened Jul 20, 2023 by tsuyoshi38
@tsuyoshi38
1
Rationalise pseudopotential types area: main-source Relating to the src/ directory (main Conquest source code) improves: stability Fix or enhance issues with stability or robustness needs: confirmation Bug or issue needing confirmation priority: minor time: days type: question Issue to be discussed by developers
#202 opened Jun 27, 2023 by davidbowler
@davidbowler
3
pao_elem_derivative_2 is called on scalars inside a loop area: main-source Relating to the src/ directory (main Conquest source code) improves: speed Speed-up of code
#198 opened Jun 15, 2023 by tkoskela
@tkoskela
1
Access to data in gridfunctions is slow area: main-source Relating to the src/ directory (main Conquest source code) improves: speed Speed-up of code type: enhancement Planned enhancement being suggested by developers
#197 opened Jun 15, 2023 by tkoskela
@tkoskela
ProTip! no:milestone will show everything without a milestone.