material 版 (精华区)

发信人: chumsdock (微笑服务), 信区: material       
标  题: Re: 非晶作业：BCC结构原子配位数的python代码
发信站: BBS 听涛站 (Fri Oct 15 13:39:54 2004), 转信

结果：
0.000000     1     [0.0, 0.0, 0.0]
0.750000     8     [0.5, 0.5, 0.5]
1.000000     6     [0.0, 0.0, 1.0]
2.000000     12    [0.0, 1.0, 1.0]
2.750000     24    [0.5, 0.5, 1.5]
3.000000     8     [1.0, 1.0, 1.0]
4.000000     6     [0.0, 0.0, 2.0]
4.750000     24    [0.5, 1.5, 1.5]
5.000000     24    [0.0, 1.0, 2.0]
6.000000     24    [1.0, 1.0, 2.0]
6.750000     24    [0.5, 0.5, 2.5]
6.750000     8     [1.5, 1.5, 1.5]
8.000000     12    [0.0, 2.0, 2.0]
8.750000     48    [0.5, 1.5, 2.5]
9.000000     6     [0.0, 0.0, 3.0]
9.000000     24    [1.0, 2.0, 2.0]
10.000000    24    [0.0, 1.0, 3.0]
10.750000    24    [1.5, 1.5, 2.5]
11.000000    24    [1.0, 1.0, 3.0]
12.000000    8     [2.0, 2.0, 2.0]
12.750000    24    [0.5, 0.5, 3.5]

【 在 chumsdock (微笑服务) 的大作中提到: 】
: 前面n段略……
: for a1 in [0.0,1.0,2.0,3.0,4.0,5.0]:
:         for a2 in[0.0,1.0,2.0,3.0,4.0,5.0]:
:                 for a3 in[0.0,1.0,2.0,3.0,4.0,5.0]:
:                         for item in uvw:
:                                 if [a1,a2,a3] in fullset(item): break
:                         else:
:                                 distance=a1**2+a2**2+a3**2
:                                 number=len(fullset([a1,a2,a3]))
:                                 temp=info([[a1,a2,a3],number,distance])
:                                 fullinfo.append(temp)
: ...................

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