void Init::parseDispersion(const pugi::xml_node &node)
{
cout << "Dispersion:" << endl;
string filename = node.child_value("filename");
string filetype = node.child_value("filetype");
SpinWaveDispersion Dispersion;
Dispersion.setFilename(filename);
SpinWaveDispersion::Options PrintOptions;
string temp;
bool value;
temp = node.child("filetype").child_value("printposition");
value = boost::lexical_cast<bool, std::string>(temp);
PrintOptions = SpinWaveDispersion::Options::PrintPosition;
cout << "print position: "<< value << endl;
Dispersion.setOptions(PrintOptions,value);
temp = node.child("filetype").child_value("printfrequency");
value = boost::lexical_cast<bool, std::string>(temp);
PrintOptions = SpinWaveDispersion::Options::PrintFrequency;
cout << "print frequency: "<< value << endl;
Dispersion.setOptions(PrintOptions,value);
temp = node.child("filetype").child_value("printintensity");
value = boost::lexical_cast<bool, std::string>(temp);
PrintOptions = SpinWaveDispersion::Options::PrintIntensity;
cout << "print intensity: "<< value << endl;
Dispersion.setOptions(PrintOptions,value);
pugi::xml_node lines = node.child("lines");
for (pugi::xml_node group = lines.child("group");group; group = group.next_sibling("group"))
{
double x0,y0,z0,x1,y1,z1,NumberPoints;
NumberPoints = stringToDouble(group.child_value("numberpoints"));
x0 = stringToDouble(group.child("firstpoint").child_value("x"));
y0 = stringToDouble(group.child("firstpoint").child_value("y"));
z0 = stringToDouble(group.child("firstpoint").child_value("z"));
x1 = stringToDouble(group.child("lastpoint").child_value("x"));
y1 = stringToDouble(group.child("lastpoint").child_value("y"));
z1 = stringToDouble(group.child("lastpoint").child_value("z"));
cout << x0 << " " << y0 << " " << z0 << " " << x1 << " " << y1 << " " << z1 << endl;
PointsAlongLine Line;
Line.setFirstPoint(x0,y0,z0);
Line.setFinalPoint(x1,y1,z1);
Line.setNumberPoints(NumberPoints);
Dispersion.setPoints(Line.getPoints());
}
Dispersion.setGenie(builder.createElement());
Dispersion.save();
}
int main()
{
Cell cell;
cell.setBasisVectors(1.0,10.0,10.0,90.0,90.0,90.0);
Sublattice spin0;
string name0 = "Spin0";
spin0.setName(name0);
spin0.setType("NONE");
spin0.setMoment(1.0,0.0,0.0);
cell.addSublattice(spin0);
cell.addAtom(name0,0.0,0.0,0.0);
Sublattice spin1;
string name1 = "Spin1";
spin1.setName(name1);
spin1.setType("NONE");
spin1.setMoment(1.0,M_PI,0.0);
cell.addSublattice(spin1);
cell.addAtom(name1,0.5,0.0,0.0);
SpinWaveBuilder builder(cell);
InteractionFactory interactions;
Vector3 xhat(1.0,0.0,0.0);
builder.addInteraction(interactions.getExchange("J",-1.0,name0,name1,0.4,0.6));
builder.addInteraction(interactions.getAnisotropy("D",0.1,xhat,name0));
builder.addInteraction(interactions.getAnisotropy("D",0.1,xhat,name1));
SpinWave SW = builder.createElement();
PointsAlongLine Line;
Line.setFirstPoint(0.0,0.0,0.0);
Line.setFinalPoint(0.0,0.0,3.0*2.0*M_PI);
Line.setNumberPoints(201);
ThreeVectors<double> kPoints = Line.getPoints();
Energies energies(0.2, 3.0, 201);
OneDimensionalFactory factory;
auto gauss = factory.getGaussian(0.15,1.0e-1);
unique_ptr<SpinWavePlot> res(new EnergyResolutionFunction(move(gauss), SW,energies));
unique_ptr<SpinWavePlot> cut(new IntegrateThetaPhi(move(res),1.0e-1));
TwoDimensionalCut twodimcut;
twodimcut.setFilename("AFMPowderAverage");
twodimcut.setPlotObject(move(cut));
twodimcut.setPoints(kPoints);
twodimcut.save();
return 0;
}
int main()
{
double gamma,eta,J,B;
gamma = -2.0;
eta = -2.0;
J = 1.0;
B = 8.0;
double theta = M_PI_2;
theta = acos(-B/(4.0*gamma));
cout << "Theta = " << theta << endl;
Cell cell;
cell.setBasisVectors(1.0,2.0,10.0,90.0,90.0,90.0);
Sublattice a1;
string name1 = "a1";
a1.setName(name1);
a1.setType("NONE");
a1.setMoment(1.0,theta,0.0);
cell.addSublattice(a1);
cell.addAtom(name1,0.0,0.0,0.0);
Sublattice b1;
string name2 = "b1";
b1.setName(name2);
b1.setType("NONE");
b1.setMoment(1.0,theta,M_PI);
cell.addSublattice(b1);
cell.addAtom(name2,0.0,0.5,0.0);
SpinWaveBuilder builder(cell);
InteractionFactory interactions;
builder.addInteraction(interactions.getExchange("J",J,name1,name1,0.9,1.1));
builder.addInteraction(interactions.getExchange("metaJ",-1.0*eta*J,name2,name2,0.9,1.1));
builder.addInteraction(interactions.getExchange("gammaJ",gamma*J,name1,name2,0.9,1.1));
Vector3 zhat(0.0,0.0,1.0);
builder.addInteraction(interactions.getMagneticField("B",B,zhat,name1));
builder.addInteraction(interactions.getMagneticField("B",B,zhat,name2));
SpinWave test = builder.createElement();
PointsAlongLine Line;
Line.setFirstPoint(0.0,1.0,0.0);
Line.setFinalPoint(0.0,2.0,0.0);
Line.setNumberPoints(11);
ThreeVectors<double> kPoints = Line.getPoints();
SpinWaveDispersion dispersion;
dispersion.setFilename("AFMChain.txt");
dispersion.setGenie(test);
dispersion.setPoints(kPoints);
dispersion.save();
/*double kx(0.0),ky(0.0);
double R2Kp = (eta-1.0)*(cos(kx)-1.0)+2.0*gamma*(-1.0+cos(ky));
double R2Km = (eta-1.0)*(cos(kx)-1.0)+2.0*gamma*(-1.0-cos(ky));
double term = (eta+1.0)*(cos(kx)-1.0);
cout << sqrt(R2Kp*R2Km) +term << " " << sqrt(R2Kp*R2Km) +term << endl;
cout << sqrt(R2Kp/R2Km) << " " << sqrt(R2Kp/R2Km) << endl;
kx = M_PI;
R2Kp = (eta-1.0)*(cos(kx)-1.0)+2.0*gamma*(-1.0+cos(ky));
R2Km = (eta-1.0)*(cos(kx)-1.0)+2.0*gamma*(-1.0-cos(ky));
term = (eta+1.0)*(cos(kx)-1.0);
cout << sqrt(R2Kp*R2Km) +term << " " << sqrt(R2Kp*R2Km) -term << endl;
cout << sqrt(R2Kp/R2Km) << " " << sqrt(R2Kp/R2Km) << endl;
kx = 2.0*M_PI;
R2Kp = (eta-1.0)*(cos(kx)-1.0)+2.0*gamma*(-1.0+cos(ky));
R2Km = (eta-1.0)*(cos(kx)-1.0)+2.0*gamma*(-1.0-cos(ky));
term = (eta+1.0)*(cos(kx)-1.0);
cout << sqrt(R2Kp*R2Km) +term << " " << sqrt(R2Kp*R2Km) +term << endl;
cout << sqrt(R2Kp/R2Km) << " " << sqrt(R2Kp/R2Km) << endl;
*/
return 0;
}
void Init::parseTwoDimensionCut(const pugi::xml_node &node)
{
cout << "Two Dimension Cut:" << endl;
string filename = node.child_value("filename");
string filetype = node.child_value("filetype");
TwoDimensionCut Cut;
Cut.setFilename(filename);
cout << filename << endl;
{
pugi::xml_node group = node.child("setkpoints");
double x0,y0,z0,x1,y1,z1,NumberPoints;
string temp;
NumberPoints = stringToDouble(group.child_value("numberpoints"));
x0 = stringToDouble(group.child("firstpoint").child_value("x"));
y0 = stringToDouble(group.child("firstpoint").child_value("y"));
z0 = stringToDouble(group.child("firstpoint").child_value("z"));
x1 = stringToDouble(group.child("lastpoint").child_value("x"));
y1 = stringToDouble(group.child("lastpoint").child_value("y"));
z1 = stringToDouble(group.child("lastpoint").child_value("z"));
cout << x0 << " " << y0 << " " << z0 << " " << x1 << " " << y1 << " " << z1 << endl;
PointsAlongLine Line;
Line.setFirstPoint(x0,y0,z0);
Line.setFinalPoint(x1,y1,z1);
Line.setNumberPoints(NumberPoints);
Cut.setPoints(Line.getPoints());
}
{
pugi::xml_node group = node.child("setenergypoints");
double MinEnergy,MaxEnergy,NumberPoints;
string temp;
NumberPoints = stringToDouble(group.child_value("numberpoints"));
MinEnergy = stringToDouble(group.child_value("firstpoint"));
MaxEnergy = stringToDouble(group.child_value("lastpoint"));
cout << MinEnergy << " " << MaxEnergy << " " << NumberPoints << endl;
PointsAlongLine Line;
pugi::xml_node type = node.child("type");
pugi::xml_node Gaussian = type.child("OneDimensionGaussian");
pugi::xml_node Lorentzian = type.child("OneDimensionLorentzian");
pugi::xml_node PseudoVoigt = type.child("OneDimensionPseudoVoigt");
OneDimensionalFactory factory;
unique_ptr<OneDimensionalShapes> resinfo;
if (Gaussian)
{
double fwhm,tolerance;
fwhm = stringToDouble(Gaussian.child_value("fwhm"));
tolerance = stringToDouble(Gaussian.child_value("tol"));
resinfo = factory.getGaussian(fwhm,tolerance);
cout << "Gaussian resolution function set" << endl;
}
else if(Lorentzian)
{
double fwhm,tolerance;
fwhm = stringToDouble(Lorentzian.child_value("fwhm"));
tolerance = stringToDouble(Lorentzian.child_value("tol"));
resinfo = factory.getLorentzian(fwhm,tolerance);
cout << "Lorentzian resolution function set" << endl;
}
else if(PseudoVoigt)
{
double eta,fwhm,tolerance;
eta = stringToDouble(PseudoVoigt.child_value("eta"));
fwhm = stringToDouble(PseudoVoigt.child_value("fwhm"));
tolerance = stringToDouble(PseudoVoigt.child_value("tol"));
resinfo = factory.getPseudoVoigt(eta,fwhm,tolerance);
cout << "Pseudo-Voigt resolution function set" << endl;
}
else
{
cout << "RESOLUTION FUNCTION NOT SET!!!" << endl;
}
SpinWave SW = builder.createElement();
unique_ptr<SpinWavePlot> res(new EnergyResolutionFunction(move(resinfo), SW, Energies(MinEnergy, MaxEnergy, NumberPoints)));
Cut.setPlotObject(move(res));
Cut.setEnergyPoints(MinEnergy,MaxEnergy,NumberPoints);
}
Cut.save();
}
int main()
{
std::array<double,4> BValues{{0.0,4.0,8.0,10.0}};
for (auto B:BValues)
{
double gamma,eta,J;
gamma = -2.0;
eta = -2.0;
J = 1.0;
double theta = M_PI_2;
theta = acos(-B/(4.0*gamma));
if (theta != theta) //check for nan
theta = 0.0;
cout << "Theta = " << theta << endl;
Cell cell;
cell.setBasisVectors(1.0,2.0,10.0,90.0,90.0,90.0);
Sublattice a1;
string name1 = "a1";
a1.setName(name1);
a1.setType("NONE");
a1.setMoment(1.0,theta,0.0);
cell.addSublattice(a1);
cell.addAtom(name1,0.0,0.0,0.0);
Sublattice b1;
string name2 = "b1";
b1.setName(name2);
b1.setType("NONE");
b1.setMoment(1.0,theta,M_PI);
cell.addSublattice(b1);
cell.addAtom(name2,0.0,0.5,0.0);
SpinWaveBuilder builder(cell);
InteractionFactory interactions;
builder.addInteraction(interactions.getExchange("J",J,name1,name1,0.9,1.1));
builder.addInteraction(interactions.getExchange("metaJ",-1.0*eta*J,name2,name2,0.9,1.1));
builder.addInteraction(interactions.getExchange("gammaJ",gamma*J,name1,name2,0.9,1.1));
Vector3 zhat(0.0,0.0,1.0);
builder.addInteraction(interactions.getMagneticField("B",B,zhat,name1));
builder.addInteraction(interactions.getMagneticField("B",B,zhat,name2));
SpinWave test = builder.createElement();
PointsAlongLine Line;
Line.setFirstPoint(0.5,0.0,0.0);
Line.setFinalPoint(0.0,0.0,0.0);
Line.setNumberPoints(101);
ThreeVectors<double> kPoints = Line.getPoints();
Line.setFirstPoint(0.0,0.0,0.0);
Line.setFinalPoint(0.0,1.0,0.0);
Line.setNumberPoints(101);
ThreeVectors<double> kPoints2 = Line.getPoints();
SpinWaveDispersion dispersion;
dispersion.setFilename("SC2Chain_"+std::to_string(static_cast<int>(B))+".txt");
dispersion.setGenie(test);
dispersion.setPoints(kPoints);
dispersion.setPoints(kPoints2);
dispersion.save();
}
return 0;
}