FieldType calcSuperDensity(size_t site,
size_t site2,
const HilbertStateType& gs,
const EngineType& engine)
{
HilbertStateType savedVector = gs;
FieldType savedValue = 0;
FieldType sum = 0;
OpNormalFactoryType opNormalFactory(engine);
OpLibFactoryType opLibFactory(engine);
for (size_t sigma = 0;sigma<2;sigma++) {
HilbertStateType phi = gs;
LibraryOperatorType& myOp = opLibFactory(
LibraryOperatorType::N,site,1-sigma);
myOp.applyTo(phi);
OperatorType& myOp2 = opNormalFactory(OperatorType::CREATION,
site,sigma);
myOp2.applyTo(phi);
for (size_t sigma2 = 0;sigma2 < 2;sigma2++) {
HilbertStateType phi3 = phi;
LibraryOperatorType& myOp3 = opLibFactory(
LibraryOperatorType::NBAR,site2,1-sigma2);
myOp3.applyTo(phi3);
OperatorType& myOp4 = opNormalFactory(
OperatorType::DESTRUCTION,site2,sigma2);
myOp4.applyTo(phi3);
if (sigma ==0 && sigma2 ==0) savedVector = phi3;
sum += scalarProduct(phi3,phi3);
if (sigma ==1 && sigma2 ==1) {
savedValue = scalarProduct(phi3,savedVector);
}
}
}
sum += 2*real(savedValue);
//std::cerr<<"#sum2="<<scalarProduct(tmpV,tmpV)<<"\n";
return sum;
}
int main(int argc,char* argv[])
{
int opt = 0;
PsimagLite::String file("");
while ((opt = getopt(argc, argv, "f:")) != -1) {
switch (opt) {
case 'f':
file=optarg;
break;
default: /* '?' */
throw std::runtime_error("Wrong usage\n");
}
}
if (file=="") {
throw std::runtime_error("Wrong usage\n");
}
FreeFermions::InputCheck inputCheck;
InputNgType::Writeable ioWriteable(file,inputCheck);
InputNgType::Readable io(ioWriteable);
GeometryParamsType geometryParams(io);
SizeType electronsUp = GeometryParamsType::readElectrons(io,geometryParams.sites);
SizeType dof = 2; // spin up and down
GeometryLibraryType geometry(geometryParams);
std::cerr<<geometry;
SizeType npthreads = 1;
ConcurrencyType concurrency(&argc,&argv,npthreads);
EngineType engine(geometry.matrix(),dof,true);
PsimagLite::Vector<SizeType>::Type ne(dof,electronsUp); // n. of up (= n. of down electrons)
HilbertStateType gs(engine,ne);
RealType sum = 0;
for (SizeType i=0;i<ne[0];i++) sum += engine.eigenvalue(i);
std::cerr<<"Energy="<<dof*sum<<"\n";
SizeType n = geometryParams.sites;
MatrixType m(n,n);
FieldType sum2 = 0;
SizeType effectiveN = n;
SizeType norb = (geometryParams.type == GeometryLibraryType::FEAS || geometryParams.type == GeometryLibraryType::FEAS1D) ? geometryParams.orbitals : 1;
OpLibFactoryType opLibFactory(engine);
for (SizeType site = 0; site<effectiveN ; site++) {
FieldType y = 0;
for (SizeType orb1 = 0;orb1<norb; orb1++) {
HilbertStateType phi = gs;
LibraryOperatorType& myOp = opLibFactory(LibraryOperatorType::DELTA,site+orb1*n,0);
myOp.applyTo(phi);
y += scalarProduct(phi,gs);
for (SizeType site2=0; site2<effectiveN; site2++) {
for (SizeType orb2=0;orb2<norb;orb2++) {
HilbertStateType phi2 = gs;
LibraryOperatorType& myOp2 = opLibFactory(LibraryOperatorType::DELTA,site2+orb2*n,0);
myOp2.applyTo(phi2);
FieldType x = scalarProduct(phi2,phi);
std::cout<<x<<" ";
std::cout.flush();
m(site,site2) += x;
sum2 += y*y;
}
}
std::cout<<"\n";
}
}
}
int main(int argc,char *argv[])
{
int opt;
size_t n =0;
size_t electronsUp=0;
RealType step = 0;
RealType offset=0;
size_t total=0;
size_t site = 0;
bool ladder = false;
std::vector<RealType> v;
std::vector<std::string> str;
while ((opt = getopt(argc, argv, "n:e:s:p:t:o:i:l")) != -1) {
switch (opt) {
case 'n':
n = atoi(optarg);
v.resize(n,0);
break;
case 'e':
electronsUp = atoi(optarg);
break;
case 's':
site = atoi(optarg);
break;
case 'p':
if (v.size()==0) {
std::string s(argv[0]);
s += "-p must come after -n\n";
throw std::runtime_error(s.c_str());
}
PsimagLite::tokenizer(optarg,str,",");
if (str.size() & 1) {
std::string s(argv[0]);
s += " Expecting pairs for -p\n";
throw std::runtime_error(s.c_str());
}
for (size_t i=0;i<str.size();i+=2) {
v[atoi(str[i].c_str())] = atof(str[i+1].c_str());
}
break;
case 't':
total = atoi(optarg);
break;
case 'i':
step = atof(optarg);
break;
case 'o':
offset = atof(optarg);
break;
case 'l':
ladder = true;
break;
default: /* '?' */
throw std::runtime_error("Wrong usage\n");
}
}
if (n==0 || total==0) throw std::runtime_error("Wrong usage\n");
size_t dof = 1; // spinless
GeometryParamsType geometryParams;
geometryParams.sites = n;
GeometryLibraryType* geometry;
if (!ladder) {
geometryParams.type = GeometryLibraryType::CHAIN;
geometry = new GeometryLibraryType(geometryParams);
} else {
geometryParams.hopping.resize(2);
geometryParams.hopping[0] = 1.0;
geometryParams.hopping[1] = 0.5;
geometryParams.type = GeometryLibraryType::LADDER;
geometry = new GeometryLibraryType(geometryParams);
}
geometry->addPotential(v);
std::cerr<<v;
ConcurrencyType concurrency(argc,argv);
EngineType engine(*geometry,concurrency,dof,false);
std::vector<size_t> ne(dof,electronsUp); // 8 up and 8 down
bool debug = false;
HilbertStateType gs(engine,ne,debug);
size_t sigma =0;
std::cout<<"#site="<<site<<"\n";
OpLibFactoryType opLibFactory(engine);
for (size_t i=0;i<total;++i) {
RealType beta = i*step + offset;
doOneBeta(engine,ne,opLibFactory,site,sigma,beta);
}
delete geometry;
}
int main(int argc,char *argv[])
{
int opt;
size_t n =0,electronsUp=0,total=0;
RealType offset = 0;
std::vector<size_t> sites;
std::vector<std::string> str;
RealType step = 0;
GeometryParamsType geometryParams;
std::vector<RealType> v;
while ((opt = getopt(argc, argv, "n:e:b:s:t:o:i:g:p:")) != -1) {
switch (opt) {
case 'n':
n = atoi(optarg);
break;
case 'e':
electronsUp = atoi(optarg);
break;
case 's':
str.clear();
PsimagLite::tokenizer(optarg,str,",");
for (size_t i=0;i<str.size();i++) {
sites.push_back(atoi(str[i].c_str()));
}
break;
case 't':
total = atoi(optarg);
break;
case 'i':
step = atof(optarg);
break;
case 'o':
offset = atof(optarg);
break;
case 'g':
str.clear();
PsimagLite::tokenizer(optarg,str,",");
setMyGeometry(geometryParams,str);
break;
case 'p':
readPotential(v,optarg);
break;
default: /* '?' */
throw std::runtime_error("Wrong usage\n");
}
}
if (n==0 || total==0) throw std::runtime_error("Wrong usage\n");
size_t dof = 2; // spin up and down
geometryParams.sites = n;
GeometryLibraryType geometry(geometryParams);
if (geometryParams.type!=GeometryLibraryType::KTWONIFFOUR) {
geometry.addPotential(v);
}
std::cerr<<geometry;
ConcurrencyType concurrency(argc,argv);
EngineType engine(geometry,concurrency,dof,false);
std::vector<size_t> ne(dof,electronsUp); // 8 up and 8 down
bool debug = false;
bool verbose = false;
HilbertStateType gs(engine,ne,debug);
// size_t sigma3 = 0;
FieldType superdensity = calcSuperDensity(sites[0],sites[1],gs,engine);
std::cout<<"#superdensity="<<superdensity<<"\n";
std::cout<<"#site="<<sites[0]<<" site2="<<sites[1]<<"\n";
PsimagLite::Range<ConcurrencyType> range(0,total,concurrency);
enum {SPIN_UP,SPIN_DOWN};
while(!range.end()) {
size_t it = range.index();
OpNormalFactoryType opNormalFactory(engine);
OpLibFactoryType opLibFactory(engine);
OpDiagonalFactoryType opDiagonalFactory(engine);
RealType time = it * step + offset;
EtoTheIhTimeType eih(time,engine,0);
DiagonalOperatorType& eihOp = opDiagonalFactory(eih);
// HilbertStateType savedVector = gs;
// FieldType savedValue = 0;
// FieldType sum = 0;
std::vector<HilbertStateType*> savedVector(4);
for (size_t sigma = 0;sigma<2;sigma++) {
HilbertStateType phi = gs;
LibraryOperatorType& myOp = opLibFactory(
LibraryOperatorType::N,sites[0],1-sigma);
myOp.applyTo(phi);
OperatorType& myOp2 = opNormalFactory(OperatorType::CREATION,
sites[0],sigma);
myOp2.applyTo(phi);
for (size_t sigma2 = 0;sigma2 < 2;sigma2++) {
savedVector[sigma+sigma2*2] = new HilbertStateType(phi);
LibraryOperatorType& myOp3 = opLibFactory(
LibraryOperatorType::NBAR,sites[1],1-sigma2);
myOp3.applyTo(*savedVector[sigma+sigma2*2]);
OperatorType& myOp4 = opNormalFactory(
OperatorType::DESTRUCTION,sites[1],sigma2);
myOp4.applyTo(*savedVector[sigma+sigma2*2]);
if (verbose) std::cerr<<"Applying exp(iHt)\n";
eihOp.applyTo(*savedVector[sigma+sigma2*2]);
if (verbose) std::cerr<<"Applying c_{p down}\n";
OperatorType& myOp6 = opNormalFactory(
OperatorType::DESTRUCTION,sites[2],SPIN_DOWN);
myOp6.applyTo(*savedVector[sigma+sigma2*2]);
if (verbose) std::cerr<<"Applying c_{p up}\n";
OperatorType& myOp7 = opNormalFactory(
OperatorType::DESTRUCTION,sites[2],SPIN_UP);
myOp7.applyTo(*savedVector[sigma+sigma2*2]);
// if (verbose) std::cerr<<"Adding "<<sigma<<" "<<sigma2<<" "<<it<<"\n";
//
// if (sigma ==0 && sigma2 ==0) savedVector = phi3;
// if (sigma ==1 && sigma2 ==1) {
// savedValue = scalarProduct(phi3,savedVector);
// }
// sum += scalarProduct(phi3,phi3);
// if (verbose) std::cerr<<"Done with scalar product\n";
}
}
FieldType sum = 0;
size_t total = savedVector.size()*savedVector.size()/2;
for (size_t x=0;x<total;x++) {
size_t sigma = (x & 3);
size_t sigma2 = (x & 12);
sigma2 >>= 2;
sum += scalarProduct(*savedVector[sigma],*savedVector[sigma2]);
}
for (size_t x=0;x<savedVector.size();x++) delete savedVector[x];
std::cout<<time<<" "<<(2.0*sum)<<"\n";
range.next();
}
}
