what to write instead of hpmc.field.wall(mc)

[azam cheraghi]

Hi,

I am updating an old version code of hoomd to use it in my program. I don't know how to update that line ext_wall=hpmc.field.wall(mc)

old : ## set up the spherical container
    ext_wall = hpmc.field.wall(mc)
    container=container_helper.Sphere(ext_wall, cont_rad, origin=[0,0,0])

My changes: ext_wall = hpmc.field.wall(mc)

    walls = container_helperC.Sphere(ext_wall, cont_rad, origin=[0,0,0])
    wall_potential = hoomd.hpmc.external.wall.WallPotential(walls)
    mc.external_potential = wall_potential

The container_helperC is another python code that will change the ext_wall parameters like

class Sphere:

def __init__(self, ext_wall, rad, origin):
        self.R=rad
        self.origin=origin
        self.ext_wall=ext_wall
        self.ext_wall.add_sphere_wall(self.R, origin=self.origin)
        self.ext_wall.set_volume(4./3.*np.pi*pow(self.R,3.0))

Regards

Azam

[Joshua Anderson]

Azam,

Thanks for sharing that information.

------

Joshua A. Anderson, Ph.D.

Research Area Specialist, Chemical Engineering, University of Michigan

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[azam cheraghi]

I actually needed help with that. Because of that line, I don't know how to change it.

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[Tim Moore]

Hi Azam,

You will need to be more specific to receive help on this mailing list. It is not clear what you are trying to achieve with the code you posted. I recommend working through the tutorials in the HOOMD-blue documentation to familiarize yourself with the v3 API, and then reading the documentation on using walls in hpmc. If you still have questions, then reply with a specific question about what you do not understand. 

Tim

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Tim Moore