GPUMD-v4.3

[brucefan1983]

GPUMD-v4.3

New features:

• Added the Tersoff-ILP potential model: Update the doc of Tersoff+ILP potential #1127 A hybrid potential "Tersoff+ILP" for the homo- and heterostructures of graphene and hBN #1062

Bug fixes and improvements:

• Improved the minimizer slightly: Fix a bug of SD minimizer position step and update output of minimizers #1068
• Improved the compute_msd keyword with multiple groups: More compute msd bugs #1087 Clean up msd many groups #1085
• Fixed a bug for training NEP with multiple GPUs: Fix the bug where the Total-Loss column contains nan values during training #1098
• NEP-MD is sped up for the "small-box" case: speed up compute_small_box #1122

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This discussion was created from the release GPUMD-v4.3.