simulations
收藏Figshare2023-02-24 更新2026-04-08 收录
下载链接：
https://figshare.com/articles/dataset/simulations/19773109/1
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资源简介：
01_vasp: example VASP input files for DFT-MD calculations. 02_dpgen: example active learning input files for collecting the training set. 03_deepmd: the training set and input files for deepmd to generate the final NNP for LAMMPS production runs. 04_lammps: example input files for LAMMPS MD simulations. 05_sample_trajectory: a raw example simulation trajectory.
提供机构：
y, l
创建时间：
2022-05-16
