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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@740 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-07-09 14:14:32 +00:00
parent 74463d8483
commit bfac0d521d
2 changed files with 45 additions and 30 deletions
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69
src/fix_gravity.cpp
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@ -30,29 +30,30 @@ enum{CHUTE,SPHERICAL,GRADIENT,VECTOR};
FixGravity::FixGravity(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg)
{
if (narg < 4) error->all("Illegal fix gravity command");
if (narg < 5) error->all("Illegal fix gravity command");
if (strcmp(arg[3],"chute") == 0) {
if (narg != 5) error->all("Illegal fix gravity command");
magnitude = atof(arg[3]);
if (strcmp(arg[4],"chute") == 0) {
if (narg != 6) error->all("Illegal fix gravity command");
style = CHUTE;
phi = 0.0;
theta = 180.0 - atof(arg[4]);
} else if (strcmp(arg[3],"spherical") == 0) {
theta = 180.0 - atof(arg[5]);
} else if (strcmp(arg[7],"spherical") == 0) {
if (narg != 6) error->all("Illegal fix gravity command");
style = SPHERICAL;
phi = atof(arg[4]);
theta = atof(arg[5]);
} else if (strcmp(arg[3],"gradient") == 0) {
if (narg != 8) error->all("Illegal fix gravity command");
phi = atof(arg[5]);
theta = atof(arg[6]);
} else if (strcmp(arg[4],"gradient") == 0) {
if (narg != 9) error->all("Illegal fix gravity command");
style = GRADIENT;
phi = atof(arg[4]);
theta = atof(arg[5]);
phigrad = atof(arg[6]);
thetagrad = atof(arg[7]);
} else if (strcmp(arg[3],"vector") == 0) {
phi = atof(arg[5]);
theta = atof(arg[6]);
phigrad = atof(arg[7]);
thetagrad = atof(arg[8]);
} else if (strcmp(arg[4],"vector") == 0) {
if (narg != 8) error->all("Illegal fix gravity command");
style = VECTOR;
magnitude = atof(arg[4]);
xdir = atof(arg[5]);
ydir = atof(arg[6]);
zdir = atof(arg[7]);
@ -91,16 +92,20 @@ void FixGravity::init()
} else if (style == VECTOR) {
if (domain->dimension == 3) {
double length = sqrt(xdir*xdir + ydir*ydir + zdir*zdir);
xgrav = magnitude * xdir/length;
ygrav = magnitude * ydir/length;
zgrav = magnitude * zdir/length;
xgrav = xdir/length;
ygrav = ydir/length;
zgrav = zdir/length;
} else {
double length = sqrt(xdir*xdir + ydir*ydir);
xgrav = magnitude * xdir/length;
ygrav = magnitude * ydir/length;
xgrav = xdir/length;
ygrav = ydir/length;
zgrav = 0.0;
}
}
xgrav *= magnitude;
ygrav *= magnitude;
zgrav *= magnitude;
}
/* ---------------------------------------------------------------------- */
@ -117,13 +122,23 @@ void FixGravity::post_force(int vflag)
// update direction of gravity vector if gradient style
if (style == GRADIENT) {
double phi_current = degree2rad *
(phi + (update->ntimestep-time_initial)*dt*phigrad*360.0);
double theta_current = degree2rad *
(theta + (update->ntimestep-time_initial)*dt*thetagrad*360.0);
xgrav = sin(theta_current) * cos(phi_current);
ygrav = sin(theta_current) * sin(phi_current);
zgrav = cos(theta_current);
if (domain->dimension == 3) {
double phi_current = degree2rad *
(phi + (update->ntimestep-time_initial)*dt*phigrad*360.0);
double theta_current = degree2rad *
(theta + (update->ntimestep-time_initial)*dt*thetagrad*360.0);
xgrav = sin(theta_current) * cos(phi_current);
ygrav = sin(theta_current) * sin(phi_current);
zgrav = cos(theta_current);
} else {
double theta_current = degree2rad *
(theta + (update->ntimestep-time_initial)*dt*thetagrad*360.0);
xgrav = sin(theta_current);
ygrav = cos(theta_current);
}
xgrav *= magnitude;
ygrav *= magnitude;
zgrav *= magnitude;
}
double **f = atom->f;