liggghts通过.txt文件导入颗粒信息
liggghts可以通过read_data命令读取颗粒信息和simulation box信息。比如:
# region reg block -0.05 0.05 0.0 0.16 -0.05 0.05 units box
# create_box 2 reg
# particle distributions and insertion
read_data ./data/myspheres.txt
路径 ./data/ 中的 myspheres.txt 内容如下:
#10000个颗粒
10000 atoms #颗粒的数量 2 atom types #材料的类型,相当于in.liggghts_run文件中的 “# create_box 2 reg” 0.000000 0.054000 xlo xhi #simulation box在x方向上的边界 0.000000 0.003000 ylo yhi #simulation box在y方向上的边界 0.000000 0.150000 zlo zhi #simulation box在z方向上的边界 Atoms #Atoms id Atoms type Atoms diameter Atoms density x_coordinate y_coordinate z_coordinate 1 1 0.00100000000000000 2250 0.00105000000000000 0.00225000000000000 0.00155000000000000 2 1 0.00100000000000000 2250 0.00160000000000000 0.00150000000000000 0.00155000000000000 3 1 0.00100000000000000 2250 0.00160000000000000 0.00225000000000000 0.00105000000000000 4 1 0.00100000000000000 2250 0.00210000000000000 0.00225000000000000 0.00155000000000000 5 1 0.00100000000000000 2250 0.00265000000000000 0.00150000000000000 0.00155000000000000 6 1 0.00100000000000000 2250 0.00265000000000000 0.00225000000000000 0.00105000000000000 7 1 0.00100000000000000 2250 0.00320000000000000 0.00225000000000000 0.00155000000000000 8 1 0.00100000000000000 2250 0.00370000000000000 0.00150000000000000 0.00155000000000000 9 1 0.00100000000000000 2250 0.00370000000000000 0.00225000000000000 0.00105000000000000 10 1 0.00100000000000000 2250 0.00425000000000000 0.00225000000000000 0.00155000000000000 11 1 0.00100000000000000 2250 0.00475000000000000 0.00150000000000000 0.00155000000000000 12 1 0.00100000000000000 2250 0.00475000000000000 0.00225000000000000 0.00105000000000000 13 1 0.00100000000000000 2250 0.00530000000000000 0.00225000000000000 0.00155000000000000 14 1 0.00100000000000000 2250 0.00580000000000000 0.00150000000000000 0.00155000000000000 15 1 0.00100000000000000 2250 0.00580000000000000 0.00225000000000000 0.00105000000000000 16 1 0.00100000000000000 2250 0.00635000050000000 0.00225000000000000 0.00155000000000000 . . . . 9999 1 0.00100000000000000 2250 0.0354499995000000 0.00225000000000000 0.0703500000000000 10000 1 0.00100000000000000 2250 0.0360000005000000 0.00225000000000000 0.0708500000000000

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