void Tarrec::Allocator(void)
{
//
// Now populate lattice with homogeneous, isotropic composition.
int curSize = nx * ny;
ixyz.Dimension(curSize, 3);
//
minJx = minJy = minJz = 1;
maxJx = nx;
maxJy = ny;
maxJz = nz;
//
nat0 = 0;
for(int jx=0; jx<nx; ++jx)
{
for(int jy=0; jy<ny; ++jy)
{
for(int jz=0; jz<nz; ++jz)
{
if (nat0 >= curSize)
{
ixyz.Extend(nz);
curSize = ixyz.GetSize(0);
}
ixyz.Fill3(nat0, jx+1, jy+1, jz+1); // Positions are expressed starting from one, not zero
int index = GetLinearAddress(nat0);
Composer(index, 0);
iocc[index] = true;
++nat0;
}
}
}
ixyz.Close(nat0);
}
void LoadableTarget::Printer(void)
{
if (manager->Ioshp())
{
FILE *ioshpFile = fopen("target.out", "w");
if (ioshpFile)
{
fprintf(ioshpFile, " >%s %s;", shortDescr.c_str(), longDescr.c_str());
fprintf(ioshpFile, "%10d = NAT", nat0);
if (shpar)
fprintf(ioshpFile, ", Diamx = %8.4lf\n", shpar[0]);
else
fprintf(ioshpFile, "\n");
fprintf(ioshpFile, "%8.4lf%8.4lf%8.4lf = alpha_1-3\n", alpha.data[0], alpha.data[1], alpha.data[2]);
OutVectors(ioshpFile);
fprintf(ioshpFile, "for dipole 0 0 0\n JA IX IY IZ ICOMP(x,y,z)\n");
for(int ja=0; ja<nat0; ++ja)
{
fprintf(ioshpFile, "%7d", ja);
ixyz.PrintLine(ioshpFile, "%4d", ja);
int index = GetLinearAddress(ja);
icomp.PrintLine(ioshpFile, "%2d", index);
if (dfdata && dfdata->IsAllocated())
fprintf(ioshpFile, "%10.6lf%10.6lf%10.6lf", dfdata->GetBetadf(index), dfdata->GetPhidf(index), dfdata->GetThetadf(index));
fprintf(ioshpFile, "\n");
}
fclose(ioshpFile);
}
else
fprintf(stderr, "Cannot open ioshpFile in AbstractFile::Printer for %s.", shortDescr.c_str());
}
}
void Taranirec::Allocator(void)
{
//
// Now populate lattice:
int curSize = nx * ny;
ixyz.Dimension(curSize, 3);
//
minJx = minJy = minJz = 1;
maxJx = nx;
maxJy = ny;
maxJz = nz;
nat0 = 0;
for(int jx=0; jx<nx; ++jx)
{
for(int jy=0; jy<ny; ++jy)
{
for(int jz=0; jz<nz; ++jz)
{
if (nat0 >= curSize)
{
ixyz.Extend(nz);
curSize = ixyz.GetSize(0);
}
ixyz.Fill3(nat0, jx+1, jy+1, jz+1);
int index = GetLinearAddress(nat0);
icomp.Fill3(index, (short)1, (short)2, (short)3); // Homogeneous, anisotropic composition:
iocc[index] = true;
++nat0;
}
}
}
ixyz.Close(nat0);
}
void Tartet::Allocator(void)
{
if ((dx.data[0] != onex_) || (dx.data[1] != onex_))
Errmsg("Fatal", "Tartet", " tartet does not support noncubic lattice");
//
// Determine list of occupied sites.
int curSize = nx * ny;
ixyz.Dimension(curSize, 3);
nat0 = 0;
for(int i=minJx; i<=maxJx; ++i)
{
real x = i + xoff;
// YMAX=largest value of Y which can occur for this X value
// YMIN=smallest value of Y which can occur for this X value
// ZMAX0=largest value of Z which can occur for this X value
real ymax = (real)( shpar[0] * Sqrt(3./16.) - x / Sqrt(twox_));
real ymin = (real)(-shpar[0] * Sqrt(3./64.) + x / Sqrt(8.));
real zmax0 = (real)(3. * shpar[0] / 8. - x * Sqrt(3./8.));
for(int j=minJy; j<=maxJy; ++j)
{
real y = j + yoff;
if ((y >= ymin) && (y <= ymax))
{
real fy = (y - ymin) / (ymax - ymin);
real zmax = (onex_ - fy) * zmax0; // ! ZMAX=largest value of Z which can occur for this (X,Y)
for(int k=minJz; k<=maxJz; ++k)
{
real z = k + zoff;
if (Fabs(z) <= zmax) // ! Site is occupied:
{
if (nat0 >= curSize)
{
ixyz.Extend(nz);
curSize = ixyz.GetSize(0);
}
ixyz.Fill3(nat0, i, j, k);
int index = GetLinearAddress(nat0);
Composer(index, 0);
iocc[index] = true;
++nat0;
}
}
}
}
}
ixyz.Close(nat0);
}
void AbstractTarget::OutVectorsAndArrays(FILE *file)
{
a1.Fprintf(file, "%10.6lf", NULL, " = A_1 vector\n");
a2.Fprintf(file, "%10.6lf", NULL, " = A_2 vector\n");
dx.Fprintf(file, "%10.6lf", NULL, " = lattice spacings (d_x,d_y,d_z)/d\n");
x0.Fprintf(file, "%10.6lf", NULL, " = lattice offset x0(1-3) = (x_TF,y_TF,z_TF)/d ");
fprintf(file, "for dipole 0 0 0\n JA IX IY IZ ICOMP(x,y,z)\n");
for(int ja=0; ja<nat0; ++ja)
{
fprintf(file, "%7d", ja);
ixyz.PrintLine(file, "%4d", ja);
int index = GetLinearAddress(ja);
icomp.PrintLine(file, "%2d", index);
fprintf(file, " %d\n", index);
}
}
void LoadableTarget::Allocator(void)
{
FILE *idvshpFile = fopen(cflshp, "r");
if (idvshpFile)
{
int i, ja;
char Buffer[256];
for(i=0; i<7; ++i)
{
fgets(Buffer, 255, idvshpFile);
if (i == 1)
{
sscanf(Buffer, "%d", &nat0);
ixyz.Dimension(nat0, 3);
}
}
//
Line::nx = nx;
Line::ny = ny;
Line::nz = nz;
vector<Line *> *temp = new vector<Line *>;
for(i=0; i<nat0; ++i)
{
fgets(Buffer, 255, idvshpFile);
Line *line = new Line;
sscanf(Buffer, "%d%d%d%d%d%d%d", &ja, &line->ix, &line->iy, &line->iz, &line->icc1, &line->icc2, &line->icc3);
temp->push_back(line);
}
fclose(idvshpFile);
//
std::sort(temp->begin(), temp->end(), sortPredicate);
for(i=0; i<nat0; ++i)
{
Line *line = temp->at(i);
ixyz.Fill3(i, line->ix, line->iy, line->iz);
int index = GetLinearAddress(i);
icomp.Fill3(index, line->icc1, line->icc2, line->icc3);
iocc[index] = true;
}
if (temp)
for_each(temp->begin(), temp->end(), DeleteTableElement());
CleanDelete(temp);
}
else
Wrimsg("From File::Allocator", "Error: Cannot open shape file");
}
void Target_Octahedron::Allocator(void)
{
//
// Current version of TARPLATONIC is restricted to cubic lattices
if ((dx.data[0] != onex_) || (dx.data[1] != onex_))
Errmsg("Fatal", shortDescr.c_str(), " TargetOctahedron does not support noncubic lattice");
//
int nlong = (int)shpar[0];
real nlongHalf = nlong / (real)2.;
//
int curSize = nx * ny;
ixyz.Dimension(curSize, 3);
//
nat0 = 0;
for(int jx=minJx; jx<=maxJx; ++jx)
{
real x = (real)jx - nlongHalf;
for(int jy=minJy; jy<=maxJy; ++jy)
{
real y = (real)jy - nlongHalf;
for(int jz=minJz; jz<=maxJz; ++jz)
{
real z = (real)jz - nlongHalf;
if (Check(x, y, z))
{
if (nat0 >= curSize)
{
ixyz.Extend(nz);
curSize = ixyz.GetSize(0);
}
ixyz.Fill3(nat0, jx, jy, jz);
int index = GetLinearAddress(nat0);
Composer(index, 0);
iocc[index] = true;
++nat0;
}
}
}
}
ixyz.Close(nat0);
}
void AbstractTarget::Debug(const char *fileName)
{
FILE *fx = fopen(fileName, "w");
if (!fx)
{
Wrimsg("AbstractTarget::Debug", "Cannot open Debug.txt file fx\n");
return;
}
fprintf(fx, "Nat0 = %d, nat = %d, nx,ny,nz = %d %d %d\n", nat0, nat, nx, ny, nz);
fprintf(fx, "Minmax = %d %d %d %d %d %d\n", minJx, maxJx, minJy, maxJy, minJz, maxJz);
x0.Fprintf(fx, "%lf");
fprintf(fx, "\n");
for(int ii=0; ii<nat0; ++ii)
{
fprintf(fx, "%5d", ii);
ixyz.PrintLine(fx, "%5d", ii);
int jj = GetLinearAddress(ii);
fprintf(fx, "%5d", iocc[jj]);
icomp.PrintLine(fx, "%5d", jj);
fprintf(fx, " %d\n", jj);
}
fclose(fx);
}
void Tarcyl::Allocator(void) // A=cylinder length/d, B=cylinder diameter/d
{
int jlo, jhi;
int curSize = nx * ny;
ixyz.Dimension(curSize, 3);
real r2 = (real)0.25 * shpar[1] * shpar[1];
//
switch((int)shpar[2])
{
case 1:
jlo = maxJx;
jhi = minJx;
nat0 = 0;
for(int jx=minJx; jx<=maxJx; ++jx)
{
real rx2 = twox_ * Fabs(jx * dx.data[0] - xcm);
if (rx2 <= shpar[0])
{
for(int jy=minJy; jy<=maxJy; ++jy)
{
real ry2 = jy * dx.data[1] - ycm;
ry2 = ry2 * ry2;
for(int jz=minJz; jz<=maxJz; ++jz)
{
real rz2 = jz * dx.data[2] - zcm;
rz2 = rz2 * rz2;
if (ry2 + rz2 <= r2)
{
if (nat0 >= curSize)
{
ixyz.Extend(nz);
curSize = ixyz.GetSize(0);
}
ixyz.Fill3(nat0, jx, jy, jz);
int index = GetLinearAddress(nat0);
Composer(index, 0);
iocc[index] = true;
if (jx < jlo)
jlo = jx;
if (jx > jhi)
jhi = jx;
++nat0;
}
}
}
}
}
break;
case 2:
jlo = maxJy;
jhi = minJy;
nat0 = 0;
for(int jx=minJx; jx<=maxJx; ++jx)
{
real rx2 = jx * dx.data[0] - xcm;
rx2 = rx2 * rx2;
for(int jy=minJy; jy<=maxJy; ++jy)
{
real ry2 = twox_ * Fabs(jy * dx.data[1] - ycm);
if (ry2 <= shpar[0])
{
for(int jz=minJz; jz<=maxJz; ++jz)
{
real rz2 = jz * dx.data[2] - zcm;
rz2 = rz2 * rz2;
if (rx2 + rz2 <= r2)
{
if (nat0 >= curSize)
{
ixyz.Extend(nz);
curSize = ixyz.GetSize(0);
}
ixyz.Fill3(nat0, jx, jy, jz);
int index = GetLinearAddress(nat0);
Composer(index, 0);
iocc[index] = true;
if (jy < jlo)
jlo = jy;
if (jy > jhi)
jhi = jy;
++nat0;
}
}
}
}
}
break;
case 3:
jlo = maxJz;
jhi = minJz;
nat0 = 0;
for(int jx=minJx; jx<=maxJx; ++jx)
{
real rx2 = jx * dx.data[0] - xcm;
rx2 = rx2 * rx2;
for(int jy=minJy; jy<=maxJy; ++jy)
{
real ry2 = jy * dx.data[1] - ycm;
ry2 = ry2 * ry2;
if (rx2 + ry2 <= r2)
{
for(int jz=minJz; jz<=maxJz; ++jz)
{
real rz2 = twox_ * Fabs(jz * dx.data[2] - zcm);
if (rz2 <= shpar[0])
{
if (nat0 >= curSize)
{
ixyz.Extend(nz);
curSize = ixyz.GetSize(0);
}
ixyz.Fill3(nat0, jx, jy, jz);
int index = GetLinearAddress(nat0);
Composer(index, 0);
iocc[index] = true;
if (jz < jlo)
jlo = jz;
if (jz > jhi)
jhi = jz;
++nat0;
}
}
}
}
}
break;
default:
break;
}
int nlay = jhi - jlo + 1;
ixyz.Close(nat0);
//
// NLAY = number of layers in cylinder
// NFAC = number of atoms in slice
int nfac = nat0 / nlay;
//
// REFF2=effective radius**2 of disk
real reff2 = (real)nfac / Pi;
//
// ASPR=aspect ratio (length/diameter)
real aspr = half_ * (real)nlay / Sqrt(reff2);
//
// Description
sprintf(freeDescr, " Cyl.prism, NAT=%7d NFAC=%4d NLAY=%4d asp.ratio=%lf", nat0, nfac, nlay, aspr);
}
uint32_t myfunc(void) {
printf("getting argument 1 (STRING): %s\n", (char*)GetLinearAddress(MyCPU, GetArgument(MyCPU, 1,1)));
printf("returning 666\n");
return 666;
}
