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Cell optimisation without neutral atom potential can fail

area: main-sourceRelating to the src/ directory (main Conquest source code)Relating to the src/ directory (main Conquest source code)

improves: stabilityFix or enhance issues with stability or robustnessFix or enhance issues with stability or robustness

priority: minor

time: days

type: bug

Status: Open.

#230 In OrderN/CONQUEST-release;

· davidbowler opened on Jul 31, 2023

Include KE forces in Pulay forces

area: main-sourceRelating to the src/ directory (main Conquest source code)Relating to the src/ directory (main Conquest source code)

priority: minor

time: hours

type: maintenanceRefactoring, updating etcRefactoring, updating etc

Status: Open.

#234 In OrderN/CONQUEST-release;

· davidbowler opened on Aug 2, 2023

Ensure that all file open commands fail gracefully

area: main-sourceRelating to the src/ directory (main Conquest source code)Relating to the src/ directory (main Conquest source code)

improves: stabilityFix or enhance issues with stability or robustnessFix or enhance issues with stability or robustness

priority: minor

time: days

type: maintenanceRefactoring, updating etcRefactoring, updating etc

Status: Open.

#273 In OrderN/CONQUEST-release;

· davidbowler opened on Sep 27, 2023

Turn pointers into allocatables in structures

Status: Open.

#296 In OrderN/CONQUEST-release;

· tkoskela opened on Dec 19, 2023

Default choice for Methfessel-Paxton smearing needs updating

area: main-sourceRelating to the src/ directory (main Conquest source code)Relating to the src/ directory (main Conquest source code)

improves: stabilityFix or enhance issues with stability or robustnessFix or enhance issues with stability or robustness

priority: minor

time: hours

type: maintenanceRefactoring, updating etcRefactoring, updating etc

Status: Open.

Task

#396 In OrderN/CONQUEST-release;

· davidbowler opened on Jan 21, 2025

Tidy up matrix numbering

area: main-sourceRelating to the src/ directory (main Conquest source code)Relating to the src/ directory (main Conquest source code)

improves: stabilityFix or enhance issues with stability or robustnessFix or enhance issues with stability or robustness

priority: minor

time: days

type: maintenanceRefactoring, updating etcRefactoring, updating etc

Status: Open.

Task

#407 In OrderN/CONQUEST-release;

· davidbowler opened on Mar 17, 2025

Output of wavefunction coefficients broken with k-point parallelism

area: main-sourceRelating to the src/ directory (main Conquest source code)Relating to the src/ directory (main Conquest source code)

improves: stabilityFix or enhance issues with stability or robustnessFix or enhance issues with stability or robustness

priority: minor

time: hours

type: bug

Status: Open.

Bug

#414 In OrderN/CONQUEST-release;

· davidbowler opened on Sep 5, 2025