From b3612647153c0e875812b472700a2dc23bc90a75 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 6 Aug 2012 22:11:04 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8536 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/fix_nh.cpp | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/fix_nh.cpp b/src/fix_nh.cpp index ae57aef3f4..fe1e0fee19 100644 --- a/src/fix_nh.cpp +++ b/src/fix_nh.cpp @@ -248,9 +248,9 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) else { allremap = 0; delete [] id_dilate; - int n = strlen(arg[iarg+2]) + 1; + int n = strlen(arg[iarg+1]) + 1; id_dilate = new char[n]; - strcpy(id_dilate,arg[iarg+2]); + strcpy(id_dilate,arg[iarg+1]); int idilate = group->find(id_dilate); if (idilate == -1) error->all(FLERR,"Fix nvt/npt/nph dilate group ID does not exist"); @@ -435,7 +435,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) else if (pcouple == XYZ || (dimension == 2 && pcouple == XY)) pstyle = ISO; else pstyle = ANISO; - // reneighboring only forced if flips will occur due to shape changes + // reneighboring only forced if flips can occur due to shape changes if (p_flag[3] || p_flag[4] || p_flag[5]) force_reneighbor = 1; if (domain->yz != 0.0 || domain->xz != 0.0 || domain->xy != 0.0) @@ -2179,7 +2179,7 @@ void FixNH::nh_omega_dot() } /* ---------------------------------------------------------------------- - if any tilt ratios exceed 0.5, set flip = 1 and compute new tilt values + if any tilt ratios exceed limits, set flip = 1 and compute new tilt values do not flip in x or y if non-periodic (can tilt but not flip) this is b/c the box length would be changed (dramatically) by flip if yz tilt exceeded, adjust C vector by one B vector