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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10084 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-06-17 19:14:31 +00:00
parent e2a69eaab9
commit 7665c0ebf8
2 changed files with 19 additions and 6 deletions
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6
src/fix_efield.cpp
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@ -88,14 +88,14 @@ FixEfield::FixEfield(LAMMPS *lmp, int narg, char **arg) :
int iarg = 6; int iarg = 6;
while (iarg < narg) { while (iarg < narg) {
if (strcmp(arg[iarg],"energy") == 0) { 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]) { if (strstr(arg[iarg+1],"v_") == arg[iarg+1]) {
int n = strlen(&arg[iarg+1][2]) + 1; int n = strlen(&arg[iarg+1][2]) + 1;
estr = new char[n]; estr = new char[n];
strcpy(estr,&arg[iarg+1][2]); strcpy(estr,&arg[iarg+1][2]);
} else error->all(FLERR,"Illegal fix addforce command"); } else error->all(FLERR,"Illegal fix efield command");
iarg += 2; iarg += 2;
} else error->all(FLERR,"Illegal fix addforce command"); } else error->all(FLERR,"Illegal fix efield command");
} }
force_flag = 0; force_flag = 0;

19
src/fix_efield.h
View File

@ -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 documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line. 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. Self-explanatory.
@ -79,10 +79,23 @@ Self-explanatory.
E: Variable for fix efield is invalid style 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. 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.
*/ */