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enable and apply clang-format

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This commit is contained in:
Axel Kohlmeyer
2023-04-03 21:41:09 -04:00
parent b53a47b192
commit 27127a46cc
5 changed files with 844 additions and 734 deletions
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119
src/region_sphere.cpp
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@ -1,4 +1,3 @@
// clang-format off
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
@ -23,52 +22,52 @@
using namespace LAMMPS_NS;
enum{CONSTANT,VARIABLE};
enum { CONSTANT, VARIABLE };
/* ---------------------------------------------------------------------- */
RegSphere::RegSphere(LAMMPS *lmp, int narg, char **arg) :
Region(lmp, narg, arg), xstr(nullptr), ystr(nullptr), zstr(nullptr), rstr(nullptr)
Region(lmp, narg, arg), xstr(nullptr), ystr(nullptr), zstr(nullptr), rstr(nullptr)
{
options(narg-6,&arg[6]);
options(narg - 6, &arg[6]);
if (utils::strmatch(arg[2],"^v_")) {
xstr = utils::strdup(arg[2]+2);
if (utils::strmatch(arg[2], "^v_")) {
xstr = utils::strdup(arg[2] + 2);
xc = 0.0;
xstyle = VARIABLE;
varshape = 1;
} else {
xc = xscale*utils::numeric(FLERR,arg[2],false,lmp);
xc = xscale * utils::numeric(FLERR, arg[2], false, lmp);
xstyle = CONSTANT;
}
if (utils::strmatch(arg[3],"^v_")) {
ystr = utils::strdup(arg[3]+2);
if (utils::strmatch(arg[3], "^v_")) {
ystr = utils::strdup(arg[3] + 2);
yc = 0.0;
ystyle = VARIABLE;
varshape = 1;
} else {
yc = yscale*utils::numeric(FLERR,arg[3],false,lmp);
yc = yscale * utils::numeric(FLERR, arg[3], false, lmp);
ystyle = CONSTANT;
}
if (utils::strmatch(arg[4],"^v_")) {
zstr = utils::strdup(arg[4]+2);
if (utils::strmatch(arg[4], "^v_")) {
zstr = utils::strdup(arg[4] + 2);
zc = 0.0;
zstyle = VARIABLE;
varshape = 1;
} else {
zc = zscale*utils::numeric(FLERR,arg[4],false,lmp);
zc = zscale * utils::numeric(FLERR, arg[4], false, lmp);
zstyle = CONSTANT;
}
if (utils::strmatch(arg[5],"^v_")) {
rstr = utils::strdup(arg[5]+2);
if (utils::strmatch(arg[5], "^v_")) {
rstr = utils::strdup(arg[5] + 2);
radius = 0.0;
rstyle = VARIABLE;
varshape = 1;
} else {
radius = xscale*utils::numeric(FLERR,arg[5],false,lmp);
radius = xscale * utils::numeric(FLERR, arg[5], false, lmp);
rstyle = CONSTANT;
}
@ -79,7 +78,7 @@ RegSphere::RegSphere(LAMMPS *lmp, int narg, char **arg) :
// error check
if (radius < 0.0) error->all(FLERR,"Illegal region sphere radius: {}", radius);
if (radius < 0.0) error->all(FLERR, "Illegal region sphere radius: {}", radius);
// extent of sphere
// for variable radius, uses initial radius and origin for variable center
@ -92,7 +91,8 @@ RegSphere::RegSphere(LAMMPS *lmp, int narg, char **arg) :
extent_yhi = yc + radius;
extent_zlo = zc - radius;
extent_zhi = zc + radius;
} else bboxflag = 0;
} else
bboxflag = 0;
cmax = 1;
contact = new Contact[cmax];
@ -103,11 +103,11 @@ RegSphere::RegSphere(LAMMPS *lmp, int narg, char **arg) :
RegSphere::~RegSphere()
{
delete [] xstr;
delete [] ystr;
delete [] zstr;
delete [] rstr;
delete [] contact;
delete[] xstr;
delete[] ystr;
delete[] zstr;
delete[] rstr;
delete[] contact;
}
/* ---------------------------------------------------------------------- */
@ -128,7 +128,7 @@ int RegSphere::inside(double x, double y, double z)
double delx = x - xc;
double dely = y - yc;
double delz = z - zc;
double r = sqrt(delx*delx + dely*dely + delz*delz);
double r = sqrt(delx * delx + dely * dely + delz * delz);
if (r <= radius) return 1;
return 0;
@ -146,15 +146,15 @@ int RegSphere::surface_interior(double *x, double cutoff)
double delx = x[0] - xc;
double dely = x[1] - yc;
double delz = x[2] - zc;
double r = sqrt(delx*delx + dely*dely + delz*delz);
double r = sqrt(delx * delx + dely * dely + delz * delz);
if (r > radius || r == 0.0) return 0;
double delta = radius - r;
if (delta < cutoff) {
contact[0].r = delta;
contact[0].delx = delx*(1.0-radius/r);
contact[0].dely = dely*(1.0-radius/r);
contact[0].delz = delz*(1.0-radius/r);
contact[0].delx = delx * (1.0 - radius / r);
contact[0].dely = dely * (1.0 - radius / r);
contact[0].delz = delz * (1.0 - radius / r);
contact[0].radius = -radius;
contact[0].iwall = 0;
contact[0].varflag = 1;
@ -174,15 +174,15 @@ int RegSphere::surface_exterior(double *x, double cutoff)
double delx = x[0] - xc;
double dely = x[1] - yc;
double delz = x[2] - zc;
double r = sqrt(delx*delx + dely*dely + delz*delz);
double r = sqrt(delx * delx + dely * dely + delz * delz);
if (r < radius) return 0;
double delta = r - radius;
if (delta < cutoff) {
contact[0].r = delta;
contact[0].delx = delx*(1.0-radius/r);
contact[0].dely = dely*(1.0-radius/r);
contact[0].delz = delz*(1.0-radius/r);
contact[0].delx = delx * (1.0 - radius / r);
contact[0].dely = dely * (1.0 - radius / r);
contact[0].delz = delz * (1.0 - radius / r);
contact[0].radius = radius;
contact[0].iwall = 0;
contact[0].varflag = 1;
@ -197,19 +197,15 @@ int RegSphere::surface_exterior(double *x, double cutoff)
void RegSphere::shape_update()
{
if (xstyle == VARIABLE)
xc = xscale * input->variable->compute_equal(xvar);
if (xstyle == VARIABLE) xc = xscale * input->variable->compute_equal(xvar);
if (ystyle == VARIABLE)
yc = yscale * input->variable->compute_equal(yvar);
if (ystyle == VARIABLE) yc = yscale * input->variable->compute_equal(yvar);
if (zstyle == VARIABLE)
zc = zscale * input->variable->compute_equal(zvar);
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");
if (radius < 0.0) error->one(FLERR, "Variable evaluation in region gave bad value");
}
}
@ -221,34 +217,30 @@ void RegSphere::variable_check()
{
if (xstyle == VARIABLE) {
xvar = input->variable->find(xstr);
if (xvar < 0)
error->all(FLERR,"Variable name for region sphere does not exist");
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");
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 (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");
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 (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");
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 (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");
error->all(FLERR, "Variable for region sphere is invalid style");
}
}
@ -265,27 +257,26 @@ void RegSphere::set_velocity_shape()
xcenter[1] = yc;
xcenter[2] = zc;
forward_transform(xcenter[0], xcenter[1], xcenter[2]);
if (update->ntimestep > 0) rprev = prev[4];
else rprev = radius;
if (update->ntimestep > 0)
rprev = prev[4];
else
rprev = radius;
prev[4] = radius;
}
/* ----------------------------------------------------------------------
add velocity due to shape change to wall velocity
------------------------------------------------------------------------- */
void RegSphere::velocity_contact_shape(double *vwall, double *xc)
{
double delx, dely, delz; // Displacement of contact point in x,y,z
double delx, dely, delz; // Displacement of contact point in x,y,z
delx = (xc[0] - xcenter[0])*(1 - rprev/radius);
dely = (xc[1] - xcenter[1])*(1 - rprev/radius);
delz = (xc[2] - xcenter[2])*(1 - rprev/radius);
delx = (xc[0] - xcenter[0]) * (1 - rprev / radius);
dely = (xc[1] - xcenter[1]) * (1 - rprev / radius);
delz = (xc[2] - xcenter[2]) * (1 - rprev / radius);
vwall[0] += delx/update->dt;
vwall[1] += dely/update->dt;
vwall[2] += delz/update->dt;
vwall[0] += delx / update->dt;
vwall[1] += dely / update->dt;
vwall[2] += delz / update->dt;
}