Search results

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

Status: Open.

#1607 In brucefan1983/GPUMD;

· Yuanwz00 opened on Jul 10, 2026

Different pressure in ti_spring integration with dump_exyz vs without dump_exyz

Status: Open.

#1580 In brucefan1983/GPUMD;

· tisabe opened on Jun 30, 2026

Multi-GPU NEP calculation triggers illegal memory access during neighbor-list construction

Status: Open.

#1575 In brucefan1983/GPUMD;

· AlessandroSerra opened on Jun 26, 2026

Issue with internal unwrapping procedure during runtime

Status: Open.

#1470 In brucefan1983/GPUMD;

· apmaltsev opened on Apr 28, 2026

[Feature request] Grouping methods to ensembles

Status: Open.

#1460 In brucefan1983/GPUMD;

· daneKKK opened on Apr 22, 2026

[Feature request] Support the dftd3keyword in thenep prediction tool (prediction 1)

Status: Open.

#1459 In brucefan1983/GPUMD;

· sek1ro-yuzzz opened on Apr 22, 2026

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

Status: Open.

#1457 In brucefan1983/GPUMD;

· kylinguo2016 opened on Apr 21, 2026

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

Status: Open.

#1444 In brucefan1983/GPUMD;

· MoseyQAQ opened on Apr 17, 2026

Feature request：Support for atomic deposition with configurable parameters

Status: Open.

#1437 In brucefan1983/GPUMD;

· HAHA-PHYSICS opened on Apr 14, 2026

Applying electric field to qNEP models without BEC training

Status: Open.

#1433 In brucefan1983/GPUMD;

· 1667-lys opened on Apr 8, 2026

KMC

Status: Open.

#1254 In brucefan1983/GPUMD;

· SongkKKK opened on Dec 9, 2025

Dump_restart

Status: Open.

#1113 In brucefan1983/GPUMD;

· RickardDB opened on Aug 6, 2025