fix gcmc: MC moves of molecule.

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1

Dear All

Currently, the fix gcmc command works for monoatomic particles. Molecular feature in not supported
and Monte carlo insertion , deletion and displacement of an entire molecules is not possible, currently.
Will the molecular feature be activated in near future ?
Thank you very much for you reply.

Tarak Patra

2

Dear All

Currently, the fix gcmc command works for monoatomic particles. Molecular
feature in not supported
and Monte carlo insertion , deletion and displacement of an entire
molecules is not possible, currently.
Will the molecular feature be activated in near future ?

depends. are you volunteering to spend the time programming it?

axel.

3

Talk with Paul about this (CCd).
It's not an easy problem.

Steve

4

Tarak,

Unfortunately, we have no plans to support these features. But I agree that it would be nice if someone added these to LAMMPS.

Paul