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Re: [lammps-users] pair-style-code-question
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Re: [lammps-users] pair-style-code-question


From: "Diaz,Adrian" <adriandiaz@...1447...>
Date: Wed, 11 Apr 2018 16:27:56 +0000

I see, thanks.


From: Axel Kohlmeyer <akohlmey@...24...>
Sent: Wednesday, April 11, 2018 11:56:01 AM
To: Diaz,Adrian
Cc: lammps-users@lists.sourceforge.net
Subject: Re: [lammps-users] pair-style-code-question
 
On Wed, Apr 11, 2018 at 11:40 AM, Diaz,Adrian <adriandiaz@...1447...> wrote:
> Greetings,
>
> what is the intent of this bit-wise operation on the neighbor index "j &=
> NEIGHMASK;" ?

to remove the bits that are added to the neighbor list index for
signaling 1-2, 1-3, or 1-4 neighbors.
without, your index would be *waaaay* out of bounds for any pair
involved in bonds.

axel.

>
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--
Dr. Axel Kohlmeyer  akohlmey@...24...  https://urldefense.proofpoint.com/v2/url?u=http-3A__goo.gl_1wk0&d=DwIBaQ&c=pZJPUDQ3SB9JplYbifm4nt2lEVG5pWx2KikqINpWlZM&r=SlEk-uQTWtidkuXSRgwfkNoZ7UQziaigd_WQGbfxNfc&m=un4iaDOVmJwSzswyrAg0L-YckQJfdKZdnuSmOecLDh4&s=qzct6ctqABdvQEuVZjVL9hATqojJnPtUn6idWN2RpSQ&e=
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.