Skip to content

Add HPhi Hubbard momentum standard mode #61

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
tmisawa merged 2 commits into from
Jul 9, 2026
Merged

Add HPhi Hubbard momentum standard mode #61

Changes from all commits
Commits
Show all changes
2 commits
Select commit Hold shift + click to select a range
348ca4b
Add HPhi Hubbard momentum standard mode
tmisawa Jul 9, 2026
accb3bb
Merge remote-tracking branch 'origin/develop' into feature/hphi-hubba…
tmisawa Jul 9, 2026
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
139 changes: 111 additions & 28 deletions src/StdFace_main.c
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -1467,27 +1467,116 @@ static int StdFace_HasNonZeroComplexTerms(double complex *terms, int nterms, dou
return 0;
}

static int StdFace_HasNonZeroReal(double term, double eps)
{
return isnan(term) == 0 && fabs(term) > eps;
}

static int StdFace_HasNonZeroComplex(double complex term, double eps)
{
return isnan(creal(term)) == 0 && cabs(term) > eps;
}

static int StdFace_IsLanczosOrCGMethod(struct StdIntList *StdI)
{
return strcmp(StdI->method, "****") == 0 ||
strcmp(StdI->method, "lanczos") == 0 ||
strcmp(StdI->method, "lanczosenergy") == 0 ||
strcmp(StdI->method, "cg") == 0;
}

static void CheckMomentumSpinSymmetry(struct StdIntList *StdI, double eps)
{
if (StdI->lGC != 0) {
fprintf(stdout, "\n ERROR ! MomentumIndex currently supports only canonical Spin model.\n");
StdFace_exit(-1);
}
if (StdI->S2 != 1) {
fprintf(stdout, "\n ERROR ! MomentumIndex currently supports only Spin-1/2.\n");
StdFace_exit(-1);
}
if (!StdFace_IsLanczosOrCGMethod(StdI)) {
fprintf(stdout, "\n ERROR ! MomentumIndex currently supports only Lanczos and CG.\n");
StdFace_exit(-1);
}
if (StdFace_HasNonZeroComplexTerms(StdI->trans, StdI->ntrans, eps) ||
StdFace_HasNonZeroComplexTerms(StdI->intr, StdI->nintr, eps) ||
StdFace_HasNonZeroRealTerms(StdI->Cinter, StdI->NCinter, eps) ||
StdFace_HasNonZeroRealTerms(StdI->Hund, StdI->NHund, eps) ||
StdFace_HasNonZeroRealTerms(StdI->PairLift, StdI->NPairLift, eps) ||
StdFace_HasNonZeroRealTerms(StdI->PairHopp, StdI->NPairHopp, eps)) {
fprintf(stdout, "\n ERROR ! MomentumIndex currently supports only exchange-only Spin-1/2 chain with Jz = 0 and no field/general/pair terms.\n");
StdFace_exit(-1);
}
}

static void CheckMomentumHubbardSymmetry(struct StdIntList *StdI, double eps)
{
if (StdI->lGC != 0) {
fprintf(stdout, "\n ERROR ! MomentumIndex currently supports only canonical Hubbard model.\n");
StdFace_exit(-1);
}
if (StdI->ncond == StdI->NaN_i || StdI->Sz2 == StdI->NaN_i) {
fprintf(stdout, "\n ERROR ! MomentumIndex for Hubbard requires nelec and 2Sz.\n");
StdFace_exit(-1);
}
if (!StdFace_IsLanczosOrCGMethod(StdI)) {
fprintf(stdout, "\n ERROR ! MomentumIndex currently supports only Lanczos and CG.\n");
StdFace_exit(-1);
}
if (StdFace_HasNonZeroReal(StdI->mu, eps) ||
StdFace_HasNonZeroReal(StdI->h, eps) ||
StdFace_HasNonZeroReal(StdI->Gamma, eps) ||
StdFace_HasNonZeroReal(StdI->Gamma_y, eps)) {
fprintf(stdout, "\n ERROR ! MomentumIndex for Hubbard does not support mu/h/Gamma/Gamma_y terms.\n");
StdFace_exit(-1);
}
if (StdFace_HasNonZeroComplex(StdI->t0p, eps) ||
StdFace_HasNonZeroComplex(StdI->t0pp, eps)) {
fprintf(stdout, "\n ERROR ! MomentumIndex for Hubbard does not support next-neighbor hopping terms.\n");
StdFace_exit(-1);
}
if (StdFace_HasNonZeroReal(StdI->V0, eps) ||
StdFace_HasNonZeroReal(StdI->V0p, eps) ||
StdFace_HasNonZeroReal(StdI->V0pp, eps) ||
StdFace_HasNonZeroRealTerms(StdI->Cinter, StdI->NCinter, eps)) {
fprintf(stdout, "\n ERROR ! MomentumIndex for Hubbard does not support V/CoulombInter terms.\n");
StdFace_exit(-1);
}
if (StdFace_HasNonZeroComplexTerms(StdI->intr, StdI->nintr, eps) ||
StdFace_HasNonZeroRealTerms(StdI->Hund, StdI->NHund, eps) ||
StdFace_HasNonZeroRealTerms(StdI->PairLift, StdI->NPairLift, eps) ||
StdFace_HasNonZeroRealTerms(StdI->PairHopp, StdI->NPairHopp, eps)) {
fprintf(stdout, "\n ERROR ! MomentumIndex for Hubbard supports only nearest-neighbor hopping and onsite U.\n");
StdFace_exit(-1);
}
}

static void CheckMomentumSpinlessSymmetry(struct StdIntList *StdI, double eps)
{
if (StdI->lGC != 0) {
fprintf(stdout, "\n ERROR ! MomentumIndex currently supports only canonical SpinlessFermion model.\n");
StdFace_exit(-1);
}
if (StdFace_HasNonZeroComplexTerms(StdI->intr, StdI->nintr, eps) ||
StdFace_HasNonZeroRealTerms(StdI->Cinter, StdI->NCinter, eps) ||
StdFace_HasNonZeroRealTerms(StdI->Hund, StdI->NHund, eps) ||
StdFace_HasNonZeroRealTerms(StdI->PairLift, StdI->NPairLift, eps) ||
StdFace_HasNonZeroRealTerms(StdI->PairHopp, StdI->NPairHopp, eps)) {
fprintf(stdout, "\n ERROR ! MomentumIndex currently supports only hopping-only SpinlessFermion chain with no density/general/pair terms.\n");
StdFace_exit(-1);
}
}

static void CheckMomentumSymmetry(struct StdIntList *StdI)
{
double eps = 1.0e-12;
int idim;
int is_spin;
int is_spinless;
if (!StdFace_UsesMomentumSymmetry(StdI)) return;
is_spin = (strcmp(StdI->model, "spin") == 0);
is_spinless = (strcmp(StdI->model, "spinlessfermion") == 0);
if (!StdFace_IsChainLattice(StdI)) {
fprintf(stdout, "\n ERROR ! MomentumIndex currently supports only chain lattice.\n");
StdFace_exit(-1);
}
if ((!is_spin && !is_spinless) || StdI->lGC != 0) {
fprintf(stdout, "\n ERROR ! MomentumIndex currently supports only canonical Spin or SpinlessFermion model.\n");
StdFace_exit(-1);
}
if (is_spin && StdI->S2 != 1) {
fprintf(stdout, "\n ERROR ! MomentumIndex currently supports only Spin-1/2.\n");
StdFace_exit(-1);
}
if (StdI->L <= 0) {
fprintf(stdout, "\n ERROR ! MomentumIndex requires positive L.\n");
StdFace_exit(-1);
Expand All @@ -1502,23 +1591,17 @@ static void CheckMomentumSymmetry(struct StdIntList *StdI)
StdFace_exit(-1);
}
}
if (is_spin &&
(StdFace_HasNonZeroComplexTerms(StdI->trans, StdI->ntrans, eps) ||
StdFace_HasNonZeroComplexTerms(StdI->intr, StdI->nintr, eps) ||
StdFace_HasNonZeroRealTerms(StdI->Cinter, StdI->NCinter, eps) ||
StdFace_HasNonZeroRealTerms(StdI->Hund, StdI->NHund, eps) ||
StdFace_HasNonZeroRealTerms(StdI->PairLift, StdI->NPairLift, eps) ||
StdFace_HasNonZeroRealTerms(StdI->PairHopp, StdI->NPairHopp, eps))) {
fprintf(stdout, "\n ERROR ! MomentumIndex currently supports only exchange-only Spin-1/2 chain with Jz = 0 and no field/general/pair terms.\n");
StdFace_exit(-1);
if (strcmp(StdI->model, "spin") == 0) {
CheckMomentumSpinSymmetry(StdI, eps);
}
if (is_spinless &&
(StdFace_HasNonZeroComplexTerms(StdI->intr, StdI->nintr, eps) ||
StdFace_HasNonZeroRealTerms(StdI->Cinter, StdI->NCinter, eps) ||
StdFace_HasNonZeroRealTerms(StdI->Hund, StdI->NHund, eps) ||
StdFace_HasNonZeroRealTerms(StdI->PairLift, StdI->NPairLift, eps) ||
StdFace_HasNonZeroRealTerms(StdI->PairHopp, StdI->NPairHopp, eps))) {
fprintf(stdout, "\n ERROR ! MomentumIndex currently supports only hopping-only SpinlessFermion chain with no density/general/pair terms.\n");
else if (strcmp(StdI->model, "spinlessfermion") == 0) {
CheckMomentumSpinlessSymmetry(StdI, eps);
}
else if (strcmp(StdI->model, "hubbard") == 0) {
CheckMomentumHubbardSymmetry(StdI, eps);
}
else {
fprintf(stdout, "\n ERROR ! MomentumIndex currently supports only Spin, SpinlessFermion, and Hubbard models.\n");
StdFace_exit(-1);
}
}
Expand Down
Loading