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Feature/direct grid chi0 #370

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4e1a6cc
Fix compute_tc.py HDF5 path for updated analysis output format
PDoakORNL May 29, 2026
74bb51d
Fix compute_tc.py for h5py complex128 auto-conversion
PDoakORNL May 29, 2026
e358454
Fix C++ BSE analysis to match Python reference
PDoakORNL May 30, 2026
928a2d4
return symmetrization for ppud anaylysis
PDoakORNL Jun 1, 2026
ea8122a
Add direct-grid chi0 lattice calculation with Python agreement
PDoakORNL Jun 17, 2026
c7c9d63
Use full complex diagonalization for PP Q=0 direct-grid chi0
PDoakORNL Jun 17, 2026
d153622
Update Tc tutorial for direct-grid chi0 option
PDoakORNL Jun 17, 2026
fb0d4ab
Merge branch 'master' into feature/direct-grid-chi0
PDoakORNL Aug 4, 2026
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4 changes: 4 additions & 0 deletions include/dca/math/function_transform/basis_transform/basis_transform.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -62,6 +62,10 @@ class basis_transform<func::dmn_0<input_type>, func::dmn_0<output_type>> {
typedef typename basis_transformation_type::matrix_type matrix_type;

public:
static bool& is_initialized() {
return basis_transformation_type::is_initialized();
}

static std::string& get_name() {
return basis_transformation_type::get_name();
}
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11 changes: 7 additions & 4 deletions include/dca/phys/dca_analysis/bse_solver/bse_cluster_solver.hpp
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Expand Up @@ -113,13 +113,14 @@ void BseClusterSolver<ParametersType, DcaDataType, ScalarType>::compute_Gamma_cl
func::function<std::complex<ScalarType>, DCA_matrix_dmn_t> G_II("G_II");
func::function<std::complex<ScalarType>, DCA_matrix_dmn_t> G_II_0("G_II_0");

apply_symmetries_sp();

// Load G_II and compute G_II_0 BEFORE symmetrizing Sigma/G_k_w,
// so the bare bubble matches Python's unsymmetrized calculation.
load_G_II(G_II);

load_G_II_0(G_II_0);
load_G_II_0_function(G_II_0);

apply_symmetries_sp();

apply_symmetries_tp(G_II, G_II_0);

solve_BSE_on_cluster(G_II, G_II_0);
Expand Down Expand Up @@ -327,9 +328,11 @@ void BseClusterSolver<ParametersType, DcaDataType, ScalarType>::solve_BSE_on_clu
dca::linalg::matrixop::copyArrayToMatrix(N, N, &G_II_0(0), N, G4_0_inv);
dca::linalg::matrixop::inverse(G4_0_inv);

const ScalarType beta_Nc_factor = parameters.get_beta() * static_cast<ScalarType>(k_DCA::dmn_size());
for (int j = 0; j < N; j++)
for (int i = 0; i < N; i++)
Gamma_cluster(i, j) = G4_0_inv(i, j) - G4_inv(i, j);
Gamma_cluster(i, j) = (G4_0_inv(i, j) - G4_inv(i, j)) * beta_Nc_factor;

}

} // namespace analysis
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