Issues

• Change/rethink how NQCD handles temperature within the simulation

  NQCD/NQCDynamics.jl#500 · Filter by author htsnowden opened on Aug 14, 2026
  

  

• Gripes/Improvements for NQCD

  NQCD/NQCDynamics.jl#498 · Filter by author htsnowden opened on Aug 11, 2026
  1

  

• Potential in NAH models not working properly

  NQCD/NQCDynamics.jl#490 · Filter by author Nhertl opened on May 27, 2026
  1

  

• Time step in BCME propgation not constant

  NQCD/NQCDynamics.jl#489 · Filter by author Nhertl opened on May 26, 2026
  1

• StochasticDiffEq v6.101.0

  compat
  NQCD/NQCDynamics.jl#475 · Filter by author Alexsp32 opened on Mar 31, 2026 · OrdinaryDiffEq v6 compatibility

• Ring Polymer dynamics issues

  NQCD/NQCDynamics.jl#467 · Filter by author Alexsp32 opened on Mar 16, 2026
  

• Ensure compatability with FastLapackInterface.jl for dynamics on NQCModels.QuantumModels

  NQCD/NQCDynamics.jl#466 · Filter by author Ash-Baldwin opened on Mar 16, 2026
  

• FileReduction fails if output returns a dictionary or struct

  bug
  Bug

  NQCD/NQCDynamics.jl#461 · Filter by author mlarkin863 opened on Mar 3, 2026
  1

  

• Time Integrators more compatible with DiffEq

  enhancement
  Feature

  NQCD/NQCDynamics.jl#435 · Filter by author htsnowden opened on Oct 15, 2025
  

• Update CI to test on Julia v's 1.9, 1.10, release

  NQCD/NQCDynamics.jl#433 · Filter by author Alexsp32 opened on Oct 14, 2025

• Optimise ALL THE THINGS

  NQCD/NQCDynamics.jl#405 · Filter by author Alexsp32 opened on Jun 20, 2025

• FSSH (and other integrator) performance regression

  NQCD/NQCDynamics.jl#400 · Filter by author Alexsp32 opened on May 27, 2025
  2

  

• FileReduction .h5 saving isn't compatible with every output function

  NQCD/NQCDynamics.jl#394 · Filter by author Louhokseson opened on May 19, 2025
  1

• Separate CI tests for newest development versions and newest releases of dependencies

  NQCD/NQCDynamics.jl#387 · Filter by author Alexsp32 opened on May 1, 2025
  2

• Structure.pbc_distance doesn't respect cell PBC settings

  enhancement
  NQCD/NQCDynamics.jl#360 · Filter by author Alexsp32 opened on Jan 20, 2025 · Version 1.0.0
  

• Allow FileReduction to save DynamicsVariables types

  enhancement
  NQCD/NQCDynamics.jl#345 · Filter by author Alexsp32 opened on Jun 4, 2024
  

• friction_method: WideBandExact in diabatic_mdef.jl uses the AndersonHolstein model instead of the inner 2x2 model

  bug
  NQCD/NQCDynamics.jl#344 · Filter by author reinimaurer1 opened on Jun 3, 2024
  2

  

• Update Metropolis-Hastings MC Unit tests to remove warning

  NQCD/NQCDynamics.jl#340 · Filter by author Alexsp32 opened on Apr 18, 2024
  

• Terminate dynamics early within a SLURM job when it runs out of time

  enhancement
  NQCD/NQCDynamics.jl#335 · Filter by author Alexsp32 opened on Mar 21, 2024
  6

  

• Add output for (ext)XYZ files

  NQCD/NQCDynamics.jl#334 · Filter by author Alexsp32 opened on Mar 6, 2024
  2

  

• Separate output types for scalar and vectorial DynamicsOutputs

  NQCD/NQCDynamics.jl#333 · Filter by author Alexsp32 opened on Mar 6, 2024

• Conditional simulation output if a callback caused early termination.

  enhancement
  NQCD/NQCDynamics.jl#331 · Filter by author Alexsp32 opened on Jan 31, 2024
  1

  

• Enable freezing the position of certain atoms

  enhancement
  NQCD/NQCDynamics.jl#295 · Filter by author Alexsp32 opened on May 31, 2023 · Version 1.0.0
  1

  

• Documentation build performance

  NQCD/NQCDynamics.jl#274 · Filter by author jamesgardner1421 opened on Apr 27, 2022

• User friendly error messages

  NQCD/NQCDynamics.jl#204 · Filter by author jamesgardner1421 opened on Nov 26, 2021