Issues 共 102
Issue with internal unwrapping procedure during runtime
#1470 · apmaltsev · 2026-04-28
Query Regarding Simulation Box Size Error in GPUMD
#1404 · neharajput6342-lgtm · 2026-03-16
compute_msd: cast an error when sample_interval*Nc is longer than total simulation time
#1375 · EsmeeBerger · 2026-02-27
TI_RS gives error when setting tswitch and tequil
#1365 · EsmeeBerger · 2026-02-20
deform command not updating box dimensions when used with npt_scr for 2D triclinic system
#1345 · docampomill · 2026-02-08
Possible bug in stress calculation with NEP and DFT-D3
#1340 · shashikant193 · 2026-02-05
Illegal memory access when using electron_stop
#1338 · P3drilloUGR · 2026-02-04
reading loss.out
#1332 · sahashemip · 2026-02-01
compute_rdf extension
#1315 · brucefan1983 · 2026-01-23
📚 Daily Automated arXiv Updates for AI4Chem Papers
#1311 · YuzeHao2023 · 2026-01-18