#materials-science

  1. bader

    多线程Bader电荷分析

    v0.4.8 200 #chemistry #multi-threading #analysis #physics #materials-science #increase
  2. velvet

    专注于用户友好性和可扩展性的经典原子模拟引擎

    v0.4.2 #molecular-dynamics #chemistry #physics #materials-science
  3. spglib

    spglib的Rust绑定

    v1.15.1 #crystallography #materials-science #bindings