Issues

• Windows native binary

  priority: minortime: hours
  Feature

  OrderN/CONQUEST-release#490 · Filter by author AugustinLu opened on Oct 1, 2026 · Release v1.7
  

• Improve availability and scope of python files

  area: utilitiesimproves: functionalitytime: weeks
  OrderN/CONQUEST-release#484 · Filter by author chpxu opened on Sep 17, 2026 · Release v1.7

• Problem: seed for random numbers

  OrderN/CONQUEST-release#453 · Filter by author tsuyoshi38 opened on Apr 27, 2026
  3

  

• Add support for cDFT defining atom indexes in the file

  OrderN/CONQUEST-release#418 · Filter by author zhonger opened on Nov 21, 2025

• Failed to do geometry optimization with cDFT

  OrderN/CONQUEST-release#417 · Filter by author zhonger opened on Nov 10, 2025

• Output of wavefunction coefficients broken with k-point parallelism

  area: main-sourceimproves: stabilitypriority: minortime: hourstype: bug
  Bug

  OrderN/CONQUEST-release#414 · Filter by author davidbowler opened on Sep 5, 2025 · Release v1.7
  

• Add forces to XSF file

  area: utilitiespriority: minortype: request
  OrderN/CONQUEST-release#413 · Filter by author davidbowler opened on Sep 4, 2025
  1

• Tidy up matrix numbering

  area: main-sourceimproves: stabilitypriority: minortime: daystype: maintenance
  Task

  OrderN/CONQUEST-release#407 · Filter by author davidbowler opened on Mar 17, 2025 · Release v1.7
  

• Error in using ELPA with Diag.KProcGroups > 1

  area: main-sourcepriority: majortime: monthstype: bug
  Bug

  OrderN/CONQUEST-release#404 · Filter by author tsuyoshi38 opened on Feb 14, 2025
  

• Adapt run_tests script to new way of building

  OrderN/CONQUEST-release#359 · Filter by author ilectra opened on Jun 27, 2024
  

• Backtrack line minimisation can fail

  area: main-sourceimproves: stabilityneeds: confirmationpriority: minortime: daystype: question
  OrderN/CONQUEST-release#343 · Filter by author davidbowler opened on Apr 5, 2024
  

• add topics

  OrderN/CONQUEST-release#325 · Filter by author Beliavsky opened on Feb 9, 2024

• Turn pointers into allocatables in structures

  OrderN/CONQUEST-release#296 · Filter by author tkoskela opened on Dec 19, 2023 · Release v1.7
  1

  

• Further threading ideas: spin and van der Waals

  area: main-sourcehelp wantedtype: question
  OrderN/CONQUEST-release#278 · Filter by author davidbowler opened on Oct 10, 2023

• Make develop the default branch?

  help wantedtype: request
  OrderN/CONQUEST-release#277 · Filter by author tkoskela opened on Oct 9, 2023
  

• Document benchmark systems

  area: testingtype: enhancement
  OrderN/CONQUEST-release#275 · Filter by author ilectra opened on Oct 4, 2023
  

• Ensure that all file open commands fail gracefully

  area: main-sourceimproves: stabilitypriority: minortime: daystype: maintenance
  OrderN/CONQUEST-release#273 · Filter by author davidbowler opened on Sep 27, 2023 · Release v1.7
  

• Overlap communication with computation in multiply_module

  OrderN/CONQUEST-release#265 · Filter by author tkoskela opened on Sep 20, 2023
  2

  

• Run weak scaling tests

  OrderN/CONQUEST-release#264 · Filter by author tkoskela opened on Sep 20, 2023
  3

  

• Think about threaded ScaLAPACK alternatives for eigenvalue solve

  improves: speedtype: question
  OrderN/CONQUEST-release#252 · Filter by author tkoskela opened on Aug 29, 2023

• Idea: Test do concurrent

  area: main-sourcepriority: minortime: days
  OrderN/CONQUEST-release#250 · Filter by author tkoskela opened on Aug 24, 2023

• Include KE forces in Pulay forces

  area: main-sourcepriority: minortime: hourstype: maintenance
  OrderN/CONQUEST-release#234 · Filter by author davidbowler opened on Aug 2, 2023 · Release v1.7
  

• Cell optimisation without neutral atom potential can fail

  area: main-sourceimproves: stabilitypriority: minortime: daystype: bug
  OrderN/CONQUEST-release#230 · Filter by author davidbowler opened on Jul 31, 2023 · Release v1.7
  

• Possible memory access error in XC routines

  area: main-sourceimproves: stabilityneeds: diagnosispriority: minortime: daystype: bug
  OrderN/CONQUEST-release#221 · Filter by author davidbowler opened on Jul 20, 2023
  

• Rationalise pseudopotential types

  area: main-sourceimproves: stabilityneeds: confirmationpriority: minortime: daystype: question
  OrderN/CONQUEST-release#202 · Filter by author davidbowler opened on Jun 27, 2023
  3