ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

support variables for more region properties

Browse Source 
add code to allow the center of a spherical or cylindrical
region to be determined as variables and thus change over time.
This commit is contained in:
Axel Kohlmeyer
2018-12-13 14:06:12 -05:00
parent 5b0c43108d
commit deb21ad4e2
5 changed files with 226 additions and 46 deletions
Download Patch File Download Diff File Expand all files Collapse all files

109
src/region_sphere.cpp
View File

@ -28,15 +28,46 @@ enum{CONSTANT,VARIABLE};
/* ---------------------------------------------------------------------- */
RegSphere::RegSphere(LAMMPS *lmp, int narg, char **arg) :
Region(lmp, narg, arg)
Region(lmp, narg, arg), xstr(NULL), ystr(NULL), zstr(NULL), rstr(NULL)
{
options(narg-6,&arg[6]);
xc = xscale*force->numeric(FLERR,arg[2]);
yc = yscale*force->numeric(FLERR,arg[3]);
zc = zscale*force->numeric(FLERR,arg[4]);
if (strstr(arg[2],"v_") == arg[2]) {
int n = strlen(arg[2]+2) + 1;
xstr = new char[n];
strcpy(xstr,arg[2]+2);
xc = 0.0;
xstyle = VARIABLE;
varshape = 1;
} else {
xc = xscale*force->numeric(FLERR,arg[2]);
xstyle = CONSTANT;
}
if (strstr(arg[3],"v_") == arg[3]) {
int n = strlen(arg[3]+2) + 1;
ystr = new char[n];
strcpy(ystr,arg[3]+2);
yc = 0.0;
ystyle = VARIABLE;
varshape = 1;
} else {
yc = yscale*force->numeric(FLERR,arg[3]);
ystyle = CONSTANT;
}
if (strstr(arg[4],"v_") == arg[4]) {
int n = strlen(arg[4]+2) + 1;
zstr = new char[n];
strcpy(zstr,arg[4]+2);
zc = 0.0;
zstyle = VARIABLE;
varshape = 1;
} else {
zc = zscale*force->numeric(FLERR,arg[4]);
zstyle = CONSTANT;
}
rstr = NULL;
if (strstr(arg[5],"v_") == arg[5]) {
int n = strlen(&arg[5][2]) + 1;
rstr = new char[n];
@ -44,19 +75,22 @@ RegSphere::RegSphere(LAMMPS *lmp, int narg, char **arg) :
radius = 0.0;
rstyle = VARIABLE;
varshape = 1;
variable_check();
shape_update();
} else {
radius = xscale*force->numeric(FLERR,arg[5]);
rstyle = CONSTANT;
}
if (varshape) {
variable_check();
shape_update();
}
// error check
if (radius < 0.0) error->all(FLERR,"Illegal region sphere command");
// extent of sphere
// for variable radius, uses initial radius
// for variable radius, uses initial radius and origin for variable center
if (interior) {
bboxflag = 1;
@ -77,6 +111,9 @@ RegSphere::RegSphere(LAMMPS *lmp, int narg, char **arg) :
RegSphere::~RegSphere()
{
delete [] xstr;
delete [] ystr;
delete [] zstr;
delete [] rstr;
delete [] contact;
}
@ -86,7 +123,7 @@ RegSphere::~RegSphere()
void RegSphere::init()
{
Region::init();
if (rstr) variable_check();
if (varshape) variable_check();
}
/* ----------------------------------------------------------------------
@ -168,9 +205,20 @@ int RegSphere::surface_exterior(double *x, double cutoff)
void RegSphere::shape_update()
{
radius = xscale * input->variable->compute_equal(rvar);
if (radius < 0.0)
error->one(FLERR,"Variable evaluation in region gave bad value");
if (xstyle == VARIABLE)
xc = xscale * input->variable->compute_equal(xvar);
if (ystyle == VARIABLE)
yc = yscale * input->variable->compute_equal(yvar);
if (zstyle == VARIABLE)
zc = zscale * input->variable->compute_equal(zvar);
if (rstyle == VARIABLE) {
radius = xscale * input->variable->compute_equal(rvar);
if (radius < 0.0)
error->one(FLERR,"Variable evaluation in region gave bad value");
}
}
/* ----------------------------------------------------------------------
@ -179,13 +227,38 @@ void RegSphere::shape_update()
void RegSphere::variable_check()
{
rvar = input->variable->find(rstr);
if (rvar < 0)
error->all(FLERR,"Variable name for region sphere does not exist");
if (!input->variable->equalstyle(rvar))
error->all(FLERR,"Variable for region sphere is invalid style");
}
if (xstyle == VARIABLE) {
xvar = input->variable->find(xstr);
if (xvar < 0)
error->all(FLERR,"Variable name for region sphere does not exist");
if (!input->variable->equalstyle(xvar))
error->all(FLERR,"Variable for region sphere is invalid style");
}
if (ystyle == VARIABLE) {
yvar = input->variable->find(ystr);
if (yvar < 0)
error->all(FLERR,"Variable name for region sphere does not exist");
if (!input->variable->equalstyle(yvar))
error->all(FLERR,"Variable for region sphere is invalid style");
}
if (zstyle == VARIABLE) {
zvar = input->variable->find(zstr);
if (zvar < 0)
error->all(FLERR,"Variable name for region sphere does not exist");
if (!input->variable->equalstyle(zvar))
error->all(FLERR,"Variable for region sphere is invalid style");
}
if (rstyle == VARIABLE) {
rvar = input->variable->find(rstr);
if (rvar < 0)
error->all(FLERR,"Variable name for region sphere does not exist");
if (!input->variable->equalstyle(rvar))
error->all(FLERR,"Variable for region sphere is invalid style");
}
}
/* ----------------------------------------------------------------------
Set values needed to calculate velocity due to shape changes.