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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@744 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2007-07-09 15:17:37 +00:00
parent 90188477ba
commit a87e25b8af
2 changed files with 34 additions and 33 deletions
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63
src/fix_gravity.cpp
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@ -39,8 +39,8 @@ FixGravity::FixGravity(LAMMPS *lmp, int narg, char **arg) :
style = CHUTE;
phi = 0.0;
theta = 180.0 - atof(arg[5]);
} else if (strcmp(arg[7],"spherical") == 0) {
if (narg != 6) error->all("Illegal fix gravity command");
} else if (strcmp(arg[4],"spherical") == 0) {
if (narg != 7) error->all("Illegal fix gravity command");
style = SPHERICAL;
phi = atof(arg[5]);
theta = atof(arg[6]);
@ -61,23 +61,6 @@ FixGravity::FixGravity(LAMMPS *lmp, int narg, char **arg) :
double PI = 2.0 * asin(1.0);
degree2rad = 2.0*PI / 360.0;
time_initial = update->ntimestep;
}
/* ---------------------------------------------------------------------- */
int FixGravity::setmask()
{
int mask = 0;
mask |= POST_FORCE;
return mask;
}
/* ---------------------------------------------------------------------- */
void FixGravity::init()
{
dt = update->dt;
if (style == CHUTE || style == SPHERICAL || style == GRADIENT) {
if (domain->dimension == 3) {
@ -103,9 +86,27 @@ void FixGravity::init()
}
}
xgrav *= magnitude;
ygrav *= magnitude;
zgrav *= magnitude;
time_initial = update->ntimestep;
}
/* ---------------------------------------------------------------------- */
int FixGravity::setmask()
{
int mask = 0;
mask |= POST_FORCE;
return mask;
}
/* ---------------------------------------------------------------------- */
void FixGravity::init()
{
dt = update->dt;
xacc = magnitude*xgrav;
yacc = magnitude*ygrav;
zacc = magnitude*zgrav;
}
/* ---------------------------------------------------------------------- */
@ -136,9 +137,9 @@ void FixGravity::post_force(int vflag)
xgrav = sin(theta_current);
ygrav = cos(theta_current);
}
xgrav *= magnitude;
ygrav *= magnitude;
zgrav *= magnitude;
xacc = magnitude*xgrav;
yacc = magnitude*ygrav;
zacc = magnitude*zgrav;
}
double **f = atom->f;
@ -153,16 +154,16 @@ void FixGravity::post_force(int vflag)
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
massone = mass[type[i]];
f[i][0] += massone*xgrav;
f[i][1] += massone*ygrav;
f[i][2] += massone*zgrav;
f[i][0] += massone*xacc;
f[i][1] += massone*yacc;
f[i][2] += massone*zacc;
}
} else {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
f[i][0] += rmass[i]*xgrav;
f[i][1] += rmass[i]*ygrav;
f[i][2] += rmass[i]*zgrav;
f[i][0] += rmass[i]*xacc;
f[i][1] += rmass[i]*yacc;
f[i][2] += rmass[i]*zacc;
}
}
}