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[lammps-users] Question about set up step potential in gcmc lammps
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[lammps-users] Question about set up step potential in gcmc lammps


From: vo thuy phuong Vo <thuyphuongqnu@...24...>
Date: Mon, 10 Jul 2017 13:47:35 +1000

Dear Lammps-users
I am a new user Lammps and would like to perform gcmc using fix gcmc command in lammps. My system is a cylinder in which the middle region is put a deeper potential then outer region. As the definition of chemical potential in gcmc:
mu=ln(particle density) + beta*potential.
I would like to control mu constant by gcmc but the middle region has deeper potential so that the particles will be more in this region. I wonder can lammps support this feature which we can set up the different potential for different region (so that the obtained density particles will be different too) in gcmc (chemical potential is controlled to be constant)?
As I look in the manual, we can set up different pressure but in this case, I would like to use the step potential for my system. Is it possible? Thank you very much.

Best,

Phuong