I am interested to generate some configurations from MD simulations which include the presence of strong magnetic field. Does anyone know any software that has some functionality to do this?
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Does anyone know any software for MD simulation which include the effect of magnetic field?
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asked Apr 30 '20 at 23:43
Meilani Wibowo
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There is certainly Lammps, which has a fix efield that allows you to apply electric field in your chosen cartesian direction. But I am not sure if it works for your purposes. You can play around with it to see.
answered Jul 2 '20 at 0:09
gogo
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I think that there isn't one. As the cause of the magnetic properties are the electrons, and no MD codes consider the electrons, they are unable to simulate magnetism.
answered May 1 '20 at 0:35
Camps
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Does anyone know any software for MD simulation which include the effect of magnetic field?
up vote
14
down vote
I am interested to generate some configurations from MD simulations which include the presence of strong magnetic field. Does anyone know any software that has some functionality to do this?
asked Apr 30 '20 at 23:43
Meilani Wibowo
1,3254 silver badges16 bronze badges
1,3254 silver badges16 bronze badges
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There is certainly Lammps, which has a fix efield that allows you to apply electric field in your chosen cartesian direction. But I am not sure if it works for your purposes. You can play around with it to see.
answered Jul 2 '20 at 0:09
gogo
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1,1674 silver badges10 bronze badges
+1. But e-field might be quite different from b-field? By the way if you're a LAMMPS user there's now a room just for LAMMPS: chat.stackexchange.com/rooms/109805/lammps - Nike Dattani Jul 2 '20 at 1:14
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