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44 Open 128 Closed
44 Open 128 Closed
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Issues list

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
1
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
6
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 v1.5
@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 v1.5
@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 v1.5
@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
Find safer way to get date and git info during build area: main-source Relating to the src/ directory (main Conquest source code) improves: stability Fix or enhance issues with stability or robustness time: hours type: bug
#190 opened May 24, 2023 by tkoskela
@tkoskela
5
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