Issues

• PPPM mesh jumps by 8x at powers of two: suggestion to make the k-space mesh tunable

  brucefan1983/GPUMD#1796 · Filter by author erikfransson opened on Sep 29, 2026

• [Feature Request] Support for deleting atoms during deposition

  new feature
  brucefan1983/GPUMD#1758 · Filter by author wysng opened on Sep 18, 2026
  1

• Possible inconsistency when using add_efield with NPT: field-induced forces are not included in the virial

  investigate
  brucefan1983/GPUMD#1630 · Filter by author MI0SAMA opened on Jul 24, 2026
  3

• Slab correction or 2D Coulomb cutoff for Ewald/PPPM electrostatics

  investigatenew feature
  brucefan1983/GPUMD#1607 · Filter by author Yuanwz00 opened on Jul 10, 2026

• [Feature request] Grouping methods to ensembles

  enhancement
  brucefan1983/GPUMD#1460 · Filter by author daneKKK opened on Apr 22, 2026

• Feature Request: Add --dry-run Mode for Input Validation in GPUMD

  new feature
  brucefan1983/GPUMD#1457 · Filter by author kylinguo2016 opened on Apr 21, 2026

• Feature request: compute energy bias for each element in NEP&GPUMD

  new feature
  brucefan1983/GPUMD#1444 · Filter by author MoseyQAQ opened on Apr 17, 2026
  1

• KMC

  new feature
  brucefan1983/GPUMD#1254 · Filter by author SongkKKK opened on Dec 9, 2025

• Dump_restart

  investigate
  brucefan1983/GPUMD#1113 · Filter by author RickardDB opened on Aug 6, 2025
  2

• How to simulate Boson Path Integral Molecular Dynamics(PIMDB)

  new feature
  brucefan1983/GPUMD#1065 · Filter by author 1597446909 opened on May 27, 2025
  1

• Feature Request: Add Virtual Indenter Functionality (Analogous to LAMMPS 'fix indent') in GPUMD's MD Module for Mechanical Loading Simulations

  new feature
  brucefan1983/GPUMD#943 · Filter by author Eulogist opened on Mar 9, 2025
  1

• Feature request: accept additional group IDs in fix and compute shc

  new feature
  brucefan1983/GPUMD#831 · Filter by author msingh101 opened on Dec 24, 2024
  2

• Feature Request: Lorentz Force Implementation in add_force for Magnetic Field Simulation

  new feature
  brucefan1983/GPUMD#810 · Filter by author Lenslike opened on Dec 1, 2024
  1

• it would be better if GPUMD could consider constant potential.

  new feature
  brucefan1983/GPUMD#655 · Filter by author linger1234567 opened on Jun 25, 2024
  1

• Extend models to higher rank tensors

  new feature
  brucefan1983/GPUMD#527 · Filter by author erhart1 opened on Nov 14, 2023
  2