From 7665c0ebf8c14c01cde48c9b23e3e11330db87f9 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 17 Jun 2013 19:14:31 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10084 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/fix_efield.cpp | 6 +++--- src/fix_efield.h | 19 ++++++++++++++++--- 2 files changed, 19 insertions(+), 6 deletions(-) diff --git a/src/fix_efield.cpp b/src/fix_efield.cpp index a2962fb5f9..7fca5850a6 100644 --- a/src/fix_efield.cpp +++ b/src/fix_efield.cpp @@ -88,14 +88,14 @@ FixEfield::FixEfield(LAMMPS *lmp, int narg, char **arg) : int iarg = 6; while (iarg < narg) { if (strcmp(arg[iarg],"energy") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix addforce command"); + if (iarg+2 > narg) error->all(FLERR,"Illegal fix efield command"); if (strstr(arg[iarg+1],"v_") == arg[iarg+1]) { int n = strlen(&arg[iarg+1][2]) + 1; estr = new char[n]; strcpy(estr,&arg[iarg+1][2]); - } else error->all(FLERR,"Illegal fix addforce command"); + } else error->all(FLERR,"Illegal fix efield command"); iarg += 2; - } else error->all(FLERR,"Illegal fix addforce command"); + } else error->all(FLERR,"Illegal fix efield command"); } force_flag = 0; diff --git a/src/fix_efield.h b/src/fix_efield.h index 704076f733..48bd75174c 100644 --- a/src/fix_efield.h +++ b/src/fix_efield.h @@ -69,7 +69,7 @@ Self-explanatory. Check the input script syntax and compare to the documentation for the command. You can use -echo screen as a command-line option when running LAMMPS to see the offending line. -E: Fix efield requires atom attribute q +E: Fix efield requires atom attribute q or mu Self-explanatory. @@ -79,10 +79,23 @@ Self-explanatory. E: Variable for fix efield is invalid style -Only equal-style variables can be used. +Only equal-style or atom-style variables can be used. -E: Cannot (yet) use atom-style variable for fix efield with dipoles +E: Fix efield with dipoles cannot use atom-style variables This feature is not yet supported. +W: The minimizer does not re-orient dipoles when using fix efield + +Self-explanatory. + +E: Cannot use variable energy with constant efield in fix efield + +Self-explanatory. + +E: Must use variable energy with fix efield + +One or more variables are defined for fix efield, which require +variable energy when using the minimizer. + */