Please provide python code for generating a data file with a random distribution of polymer chains for lammps
时间: 2023-02-08 22:12:12 浏览: 114
这里是一个示例代码,可以帮助您生成随机分布的聚合物链的数据文件:
```
import random
# 设定聚合物的数量和链长
num_polymers = 10
polymer_length = 100
# 创建一个空的列表,用于存储聚合物的坐标
polymers = []
# 随机生成聚合物的坐标
for i in range(num_polymers):
polymer = []
for j in range(polymer_length):
x = random.uniform(-10, 10)
y = random.uniform(-10, 10)
z = random.uniform(-10, 10)
polymer.append((x, y, z))
polymers.append(polymer)
# 打开文件并写入数据
with open('polymers.data', 'w') as f:
# 写入聚合物的数量和链长
f.write(f'{num_polymers} {polymer_length}\n')
# 写入每条聚合物的坐标
for polymer in polymers:
for x, y, z in polymer:
f.write(f'{x} {y} {z}\n')
```
这段代码会生成一个名为 `polymers.data` 的数据文件,其中包含了随机生成的聚合物的坐标。您可以根据需要调整聚合物的数量和链长的值。
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