Source code and examples for my on-going book《分子动力学模拟》 (Molecular dynamics simulation)

To be published in the spring of 2024.

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Name	Name	Last commit message	Last commit date
Latest commit psn417 add example May 8, 2024 cc41233 · May 8, 2024 History 672 Commits
chapter-01-classical_physics	chapter-01-classical_physics	change folder name	Feb 4, 2024
chapter-02-simple_md	chapter-02-simple_md	add chapter 2 files	Feb 7, 2024
chapter-03-linear_md	chapter-03-linear_md	clang-format	Feb 8, 2024
chapter-04-empirical_potentials	chapter-04-empirical_potentials	simplify tersoff code	Feb 13, 2024
chapter-05-machine_learned_potentials	chapter-05-machine_learned_potentials	new folder	Feb 20, 2024
chapter-06-thermostat	chapter-06-thermostat	Merge branch 'master' of https://github.com/psn417/Molecular-Dynamics…	Feb 21, 2024
chapter-07-barostat	chapter-07-barostat	example for comparing barostats	Nov 30, 2023
chapter-08-static_properties	chapter-08-static_properties	add example	May 8, 2024
chapter-09-transport_properties	chapter-09-transport_properties	10 chapters	Nov 30, 2023
chapter-10-pimd	chapter-10-pimd	10 chapters	Nov 30, 2023
ref	ref	small change of figure	Dec 2, 2023
.clang-format	.clang-format	clang format	Feb 5, 2024
.gitignore	.gitignore	allow for not using neighbor list in chapter 2	Jul 6, 2022
LICENSE	LICENSE	Initial commit	Jun 14, 2020
README.md	README.md	Update README.md	Dec 2, 2023