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Re: [lammps-users] 回复: some questions about ellipsoid
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Re: [lammps-users] 回复: some questions about ellipsoid


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Wed, 28 Jun 2017 06:32:31 -0400

On Wed, Jun 28, 2017 at 5:59 AM, htc <619771202@...1204...> wrote:
>
>
>> "fix nve/asphere dipole" like this?but it doesnt work, i also implement
>> arbitarily string such as "asdga",which shows that no matter what command
>> you implement after "nve/asphere",it makes no sense.

when i say "implement", i mean "add C++ code to the corresponding
source file(s)". i do **not** mean "add random undocumented strings to
the input".
the documentation of fix nve/asphere does not mention a dipole keyword
anywhere, so adding it to the input (or any other random keyword)
makes no sense.

axel.


>>
>>
>>
>> On Tue, Jun 27, 2017 at 9:02 AM, htc <619771202@...1204...> wrote:
>>>
>>> i consider some ellipsoids with dipole, i use the command fix nve/asphere
>>> ,but the command doesnt update the dipole.the orientation of the dipole is
>>> changeless according to the value you set.so how can i use lammps to update
>>> the attribute of ellipsoid and the orientation of the dipole?by the way ,in
>>> my model ,the dipole is fixed on the long axis of ellipsoid.
>>
>>
>> you would have to implement a "dipole" option into fix nve/asphere that
>> would update the dipole position/orientation alongside the ellipsoid.
>>
>> axel.
>>
>>
>
>
>
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-- 
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.