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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?

2 Answers

up vote 4 down vote accept

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.

https://lammps.sandia.gov/doc/fix_efield.html

up vote 3 down vote

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.


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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?


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up vote 9 down vote

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.

https://lammps.sandia.gov/doc/fix_efield.html

edit

+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 at 1:14

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