Constructing Arizona-type and Wyoming-type montmorillonite from pyrophyllite model
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https://data.mendeley.com/datasets/732r85ntm4
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资源简介：
Example of initial structures for Arizona-type and Wyoming-type montmorillonite, the structures are shown in lmp.data format to do molecular simulation in lammps. We also provide a python script for constructing the charged montmorillonite models from the pyrophyllite model. To run this script, you should install the packmol software first.
创建时间：
2023-02-21
