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ms
- parallel mergesort with mpi
mandelbrot
- 绘制mandelbrot集 。Mandelbrot Set(MS)程序用于计算复平面上的 曼德布洛特集合-Drawing mandelbrot set
get_runtime
- 计算代码运行时间的三种方法，可以精确到ms的-Three methods of calculation code run time, can be accurate to ms
BCC
- 建立多元bcc结构合金，输出结果是合金位置坐标，可用于MS建模,分子动力学模拟-Establishment of multiple bcc structure of the alloy, the output is the location coordinates of alloys, can be used in MS modeling, molecular dynamics simulation
MS-DFTB脚本
- materials studio密度泛函理论计算脚本，(materials studio DFT calculation scr ipt,)
MS-MD脚本
- MS分子动力学计算perl脚本,实现结构优化等功能(materials studio Perl scr ipt for molecular dynamics calculations)
Density Profile
- materials studio计算给定材料一个方向上的密度分布(Calculate the density profile of a given species across one spatial direction of the cell)