Python Package for Generating LAMMPS Input Scripts for Alchemical Processes: generate_alchemical_lammps_inputs

Name: Python Package for Generating LAMMPS Input Scripts for Alchemical Processes: generate_alchemical_lammps_inputs
Creator: Department of Commerce
Published: 2025-12-20T08:57:43+08:00

data.gov2025-12-20 收录

分子动力学模拟

自由能计算

数据链接：

https://catalog.data.gov/dataset/python-package-for-generating-lammps-input-scripts-for-alchemical-processes-generate-alche-4730a 数据链接链接失效反馈

官方服务：

资源简介：

The parsers featured in this module are constructed to parse LAMMPS output files, (i.e., dump files), containing data for given potential energy values (an...

提供机构：

Department of Commerce

Python Package for Generating LAMMPS Input Scripts for Alchemical Processes: generate_alchemical_lammps_inputs

资源简介：

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