Neighbor list bug affecting Dump/Local

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1

Dear LAMMPS developers,

In the latest version (19 May 2017), there is a bug which causes the dump file created using Dump/Local to be empty in certain cases. The attached two-particle simulation reproduces this problem.

I did a bit of investigating to try to help. The bug was introduced in the 2017-02-15 23:45:33 commit (sha1 = 4a80df3a99b87e7fd57e0b49e257918f024d3888) when changes were made to the neighbor lists. The version of LAMMPS immediately before this commit didn’t contain this bug.

In earlier versions of LAMMPS (e.g., 13 Feb 2017), the neighbor lists are created as follows:

in.two_particles_Sandia (978 Bytes)

Two_Particle_Coordinates.lj (486 Bytes)

2

kevin,

thanks for reporting this issue in such detail and spending the time researching it and providing a suitable test example.

to keep better track of things, i’ve converted your e-mail to an issue on the LAMMPS github project: https://github.com/lammps/lammps/issues/500

hopefully, somebody will find time soon to look into addressing this issue.

thanks again,
axel.

3

​yup. i've included this change in pull request #495: ​
https://github.com/lammps/lammps/pull/495
should be included in the next patch.

​axel.​