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mphowardlab / azplugins

A HOOMD-blue component for soft matter simulations.
BSD 3-Clause "New" or "Revised" License
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Hertz pair potential #32

Closed arjungoswami closed 3 years ago

arjungoswami commented 4 years ago

Implements the Hertz pair potential into azplugins. The Hertz potential, given as $\epsilon (1 - r / \sigma)^{5/2}$ for $r < \sigma$ and $0$ for $r> \sigma$ is a purely repulsive potential, bounded at $r = 0$, monotonically decreasing as a power-law form, and vanishing at the cutoff $\sigma$. It is a physically reasonable model for soft molecules and thus its addition into azplugins is motivated.

mphoward commented 4 years ago

Do you have an ETA for finishing up these changes? I'd like to merge all outstanding PRs by the end of the month and tag a new version.

arjungoswami commented 4 years ago

Yes, sorry about that and thanks for letting me know. I'll look into this ASAP (within the next couple of days) and if there's anything else you can comment on it, so it can be finished by the end-of-month deadline.

Arjun

On Wed, Jul 15, 2020 at 9:36 AM Michael Howard notifications@github.com wrote:

Do you have an ETA for finishing up these changes? I'd like to merge all outstanding PRs by the end of the month and tag a new version.

— You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/mphowardlab/azplugins/pull/32#issuecomment-658806532, or unsubscribe https://github.com/notifications/unsubscribe-auth/AP2RKWTBPZENSLZ2EGCLFVLR3W5GDANCNFSM4OPYVPDQ .

mphoward commented 4 years ago

Thanks, I don't have any additional changes than the ones I already suggested.

mphoward commented 3 years ago

Thank you for your work. I applied the small set of final changes to this branch so that I can finish another PR.

arjungoswami commented 3 years ago

Thank you for finishing this up, and apologies that I was not able to do it myself, as I was having some Internet connection issues on my end that were just recently resolved. Hope everything is up-to-date now.

On Sat, Jul 25, 2020 at 10:57 PM Michael Howard notifications@github.com wrote:

Thank you for your work. I applied the small set of final changes to this branch so that I can finish another PR.

— You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/mphowardlab/azplugins/pull/32#issuecomment-663932553, or unsubscribe https://github.com/notifications/unsubscribe-auth/AP2RKWRYOYC4J2I3J4CZ2P3R5OSRFANCNFSM4OPYVPDQ .