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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-09-23 18:06:55 +00:00
parent 2d99de131d
commit 19e8c92a90
468 changed files with 4628 additions and 5204 deletions
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16
src/fix_efield.cpp
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@ -38,7 +38,7 @@ enum{CONSTANT,EQUAL,ATOM};
FixEfield::FixEfield(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg)
{
if (narg != 6) error->all("Illegal fix efield command");
if (narg != 6) error->all(FLERR,"Illegal fix efield command");
qe2f = force->qe2f;
xstr = ystr = zstr = NULL;
@ -98,30 +98,30 @@ int FixEfield::setmask()
void FixEfield::init()
{
if (!atom->q_flag) error->all("Fix efield requires atom attribute q");
if (!atom->q_flag) error->all(FLERR,"Fix efield requires atom attribute q");
// check variables
if (xstr) {
xvar = input->variable->find(xstr);
if (xvar < 0) error->all("Variable name for fix efield does not exist");
if (xvar < 0) error->all(FLERR,"Variable name for fix efield does not exist");
if (input->variable->equalstyle(xvar)) xstyle = EQUAL;
else if (input->variable->atomstyle(xvar)) xstyle = ATOM;
else error->all("Variable for fix efield is invalid style");
else error->all(FLERR,"Variable for fix efield is invalid style");
}
if (ystr) {
yvar = input->variable->find(ystr);
if (yvar < 0) error->all("Variable name for fix efield does not exist");
if (yvar < 0) error->all(FLERR,"Variable name for fix efield does not exist");
if (input->variable->equalstyle(yvar)) ystyle = EQUAL;
else if (input->variable->atomstyle(yvar)) ystyle = ATOM;
else error->all("Variable for fix efield is invalid style");
else error->all(FLERR,"Variable for fix efield is invalid style");
}
if (zstr) {
zvar = input->variable->find(zstr);
if (zvar < 0) error->all("Variable name for fix efield does not exist");
if (zvar < 0) error->all(FLERR,"Variable name for fix efield does not exist");
if (input->variable->equalstyle(zvar)) zstyle = EQUAL;
else if (input->variable->atomstyle(zvar)) zstyle = ATOM;
else error->all("Variable for fix efield is invalid style");
else error->all(FLERR,"Variable for fix efield is invalid style");
}
if (xstyle == ATOM || ystyle == ATOM || zstyle == ATOM)