From 106b16942e26c670fe5006bd7582a785fbffb39f Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 20 Jan 2015 22:26:55 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12970 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/create_bonds.cpp | 6 ++++-- src/delete_atoms.cpp | 6 ++++-- 2 files changed, 8 insertions(+), 4 deletions(-) diff --git a/src/create_bonds.cpp b/src/create_bonds.cpp index 91648b5f78..3de639c30a 100644 --- a/src/create_bonds.cpp +++ b/src/create_bonds.cpp @@ -87,8 +87,10 @@ void CreateBonds::command(int narg, char **arg) if (force->pair == NULL) error->all(FLERR,"Create_bonds requires a pair style be defined"); - if (rmax > neighbor->cutneighmin) - error->all(FLERR,"Create_bonds max distance > minimum neighbor cutoff"); + if (rmax > neighbor->cutneighmax) + error->all(FLERR,"Create_bonds max distance > neighbor cutoff"); + if (rmax > neighbor->cutneighmin && comm->me == 0) + error->warning(FLERR,"Create_bonds max distance > minimum neighbor cutoff"); // require special_bonds 1-2 weights = 0.0 and KSpace = NULL // so that already bonded atom pairs do not appear in neighbor list diff --git a/src/delete_atoms.cpp b/src/delete_atoms.cpp index 5bdf33318b..d5a7a8abf1 100644 --- a/src/delete_atoms.cpp +++ b/src/delete_atoms.cpp @@ -271,8 +271,10 @@ void DeleteAtoms::delete_overlap(int narg, char **arg) if (force->pair == NULL) error->all(FLERR,"Delete_atoms requires a pair style be defined"); - if (cut > neighbor->cutneighmin) - error->all(FLERR,"Delete_atoms cutoff > minimum neighbor cutoff"); + if (cut > neighbor->cutneighmax) + error->all(FLERR,"Delete_atoms cutoff > max neighbor cutoff"); + if (cut > neighbor->cutneighmin && comm->me == 0) + error->warning(FLERR,"Delete_atoms cutoff > minimum neighbor cutoff"); // setup domain, communication and neighboring // acquire ghosts and build standard neighbor lists