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5432love

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[求助] 怎样输出应力值

大家好,我是在LAPPMS运行后出来的dump导入到VMD中的,请问下,在dump文件中怎么可以输出每个原子的应力值啊,我用了
compute              new3  all stress/atom语句计算每个原子的应力
.......
dump                   1 all custom 100 dump.LSP tag x y z vx vy vz c_new3输出原子的坐标,速度,应力,,为什么Lammps分析的时候老是说无效的dump命令呢
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jiaoyixiong

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【答案】应助回帖

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感谢参与,应助指数 +1
chaizhm: 金币+2, 谢谢~ 2012-09-21 10:59:57
I think you need to read the manual  very very very carefully.
here it is :http://lammps.sandia.gov/doc/dump.html
and check your command very carefully !
at last I have a question :  What's the damnable  "tag" mean in your command?

and best wishes !
2楼2012-09-21 10:46:51
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5432love

新虫 (初入文坛)

引用回帖:
2楼: Originally posted by jiaoyixiong at 2012-09-21 10:46:51
I think you need to read the manual  very very very carefully.
here it is :http://lammps.sandia.gov/doc/dump.html
and check your command very carefully !
at last I have a question :  What's the da ...

我仔细看了手册了啊,改成了
dump 1 all custom 100 dump.LSP id type xs ys zs id type c_new3
可是到最后还是Errorump custom computr does not calculate per-atom vector为什么老是说每个原子的分量没有被计算啊?我用了compute命令的啊
3楼2012-09-21 16:00:51
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jiaoyixiong

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【答案】应助回帖


chaizhm: 金币+1, 谢谢~ 2012-09-22 13:14:40
引用回帖:
3楼: Originally posted by 5432love at 2012-09-21 16:00:51
我仔细看了手册了啊,改成了
dump 1 all custom 100 dump.LSP id type xs ys zs id type c_new3
可是到最后还是Errorump custom computr does not calculate per-atom vector为什么老是说每个原子的分量没有被 ...

in my opinion, you need to read them more carefully, and check your command again, if the "dump " doesn't wrok, there must be something wrong with your command.
maybe your Variable  "c_new3"  is not properly defined.
if you want to output the force of each atom, why don't you use :fx,fy,fz
4楼2012-09-21 16:13:19
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5432love

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引用回帖:
4楼: Originally posted by jiaoyixiong at 2012-09-21 16:13:19
in my opinion, you need to read them more carefully, and check your command again, if the "dump " doesn't wrok, there must be something wrong with your command.
maybe your Variable  &quo ...

呵呵,,非常感谢,我的变量没有定义好
5楼2012-09-22 16:21:51
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牧灵圣经

新虫 (小有名气)

引用回帖:
5楼: Originally posted by 5432love at 2012-09-22 16:21:51
呵呵,,非常感谢,我的变量没有定义好...

你好,我也遇到了你这样的问题,我想问一下你的变量怎么改的?谢谢了
6楼2014-11-28 12:34:56
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凉yeah

铜虫 (小有名气)

引用回帖:
6楼: Originally posted by 牧灵圣经 at 2014-11-28 12:34:56
你好,我也遇到了你这样的问题,我想问一下你的变量怎么改的?谢谢了...

请问你解决了吗?能否指点一下?
7楼2016-03-19 10:56:04
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