brucefan1983/GPUMD: GPUMD-v5.8
Zheyong Fan, XU Ke, Hekai Bu, duanzaixu et autres
GPUMD-v5.8 The gpumd executable: Improved ensemble npt_scr, removing possible random box rotation for triclinic case #1680 (Zheyong Fan) Added ensemble pimd_scr for PIMD + NPT #1677 (Zheyong Fan) Fixed bugs in DPA4 interface #1679 #1681 (Mingyu Guo) Generalized deform and decoupled it …
se, gb, cn, Bénin, fi, hk, us (code pays fourni par la source)
0 citations
Zenodo (CERN European Organization for Nuclear Research)