ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Fixup neighbor list settings for pair_kim

Browse Source
This commit is contained in:
Ryan S. Elliott
2018-06-24 08:28:34 -05:00
parent 8bbba22867
commit 906a12353c
1 changed files with 1 additions and 2 deletions
Download Patch File Download Diff File Expand all files Collapse all files

3
src/KIM/pair_kim.cpp
View File

@ -379,8 +379,7 @@ void PairKIM::init_style()
int irequest = neighbor->request(this,instance_me); int irequest = neighbor->request(this,instance_me);
neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->half = 0;
neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->full = 1;
// make sure full lists also include local-ghost pairs neighbor->requests[irequest]->ghost = 1;
if (lmps_using_newton) neighbor->requests[irequest]->newton = 0;
return; return;
} }