pppm implementation

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Elsaid Younes

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Jul 13, 2021, 11:02:05 AMJul 13
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Dear all,

I can not put the right parameters for the pppm method(Nx, Ny, Nz and order). The results vary a lot with them. Particles diameter is 150.

I am not sure about which units I should use in the Debye parameter  Å^-1 or m^-1, if I use Å as a general tall length of the system.

Best,
Elsaid

Joshua Anderson

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Jul 14, 2021, 5:25:57 AMJul 14
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Elsaid,

PPPM is a standard method in the field. I would suggest reading about it in a textbook to learn how to use it.
------
Joshua A. Anderson, Ph.D.
Research Area Specialist, Chemical Engineering, University of Michigan
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Eric Irrgang

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Jul 14, 2021, 5:29:21 AMJul 14
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Also note https://hoomd-blue.readthedocs.io/en/stable/units.html for guidance with units in HOOMD: you choose your own (self-consistent) units.
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Elsaid Younes

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Aug 16, 2021, 5:33:40 AMAug 16
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Dear all,

I am still struggling to get optimal parameters for PPPM. I found out there is a "tool" mightigth be used for that reason, but I do not know its name or the way to use it.
Best,
Elsaid
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