LSQC

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作者或出品公司: 
不详
最新版本: 
2.2
评分: 
3

LSQC(Lower Scaling Quantum Chemistry;低标度量子化学)程序是用于低标度或线性标度电子结构计算的量子化学程序,由南京大学的黎书华课题组开发。程序使用从头算或密度泛函理论,可以计算能量,结构,频率,以及其它特性。程序支持串行和OpenMP并行。