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Atmoschem

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[求助] LAMMPS的velocity设置 已有1人参与

请问一下,如果LAMMPS的velocity命令设置为:velocity  group-id  create  temp  seed dist uniform,那么生成的速度是不是该温度下的方均根速率?

LAMMPS的说明书只是说:

'The create style generates an ensemble of velocities using a random number generator with the specified seed at the specified temperature.'

'The dist keyword is used by create. The ensemble of generated velocities can be a uniform distribution from some minimum to maximum value, scaled to produce the requested temperature.'

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wrxnyd54

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帮你顶,人还是厚道点好
2楼2017-09-30 12:00:53
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琳达的情人

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3楼2017-10-01 09:14:56
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琳达的情人

金虫 (小有名气)


4楼2017-10-01 09:15:17
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Atmoschem

新虫 (初入文坛)

引用回帖:
4楼: Originally posted by 琳达的情人 at 2017-10-01 09:15:17
不过可以这样理解

然而我设了几个温度试了一下,发现LAMMPS赋给分子的初始速率要比方均根速率稍微大一些,这就奇怪了。

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5楼2017-10-03 15:17:13
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brucefan

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【答案】应助回帖

"dist uniform" means that the initial velocity components do not form a Gaussian (Maxwell) distribution but will approach
it afterwards. If you are interested in the statistical properties of the initial velocities, you need to study a little about probability distribution.
6楼2017-10-05 14:24:43
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Atmoschem

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7楼2017-10-07 17:22:15
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Atmoschem

新虫 (初入文坛)

引用回帖:
6楼: Originally posted by brucefan at 2017-10-05 14:24:43
"dist uniform" means that the initial velocity components do not form a Gaussian (Maxwell) distribution but will approach
it afterwards. If you are interested in the statistical propertie ...

OK , thank you !

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8楼2017-10-07 17:22:59
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