GPUMD-v4.1

[brucefan1983]

GPUMD-v4.1

This version contains some bug fixes and improvements for GPUMD-v4.0:

• Fixed compiling issue for PLUMED introduced in GPUMD-v4.0. Fix compilation error of plumed plugin  #1008
• Fixed PIMD-NPT (isotropic and orthogonal cases) bugs introduced in GPUMD-v4.0. fix pimd npt bug #1035
• Added the save_potential keyword in nep.in that is useful for saving potential models frequently during fine-tuning of the NEP89 model. Nep milestone keyword #1012 Added possibility to use simpler output file names for save_potential… #1031
• Small improvements for ensemble ti_as and bug fix for dump_shock_nemd.

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This discussion was created from the release GPUMD-v4.1.