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 History 672 Commits
chapter-01-classical_physics		chapter-01-classical_physics
chapter-02-simple_md		chapter-02-simple_md
chapter-03-linear_md		chapter-03-linear_md
chapter-04-empirical_potentials		chapter-04-empirical_potentials
chapter-05-machine_learned_potentials		chapter-05-machine_learned_potentials
chapter-06-thermostat		chapter-06-thermostat
chapter-07-barostat		chapter-07-barostat
chapter-08-static_properties		chapter-08-static_properties
chapter-09-transport_properties		chapter-09-transport_properties
chapter-10-pimd		chapter-10-pimd
ref		ref
.clang-format		.clang-format
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md