gem
Contents
Installation
Dependencies
Core
Solvers
Testing
Documentation
Installation Steps
Custom CMake Options
Environment setup
User Guide
Theoretical Background
The Ghost Gutzwiller Approximation
The ghost embedding functional
Self-Consistency Loop
Examples
Single-Orbital Hubbard Model (Bethe Lattice)
Setup
Self-consistency loop
Results
Single-Orbital Hubbard Model (Triangular Lattice via TRIQS)
Setup
Self-consistency loop
Results
Square Lattice — Antiferromagnetic Order (T = 0)
Setup
Self-consistency loop
Seeding AFM order
Extracting the results
Results
Square Lattice — AFM Phase Diagram (Finite Temperature)
Setup
Initial guess
Seeding AFM order
Warm-starting across temperatures
Enforcing magnetisation along the z-axis
Convergence criterion
Storing results
Mean-field criticality fit
Results
API Reference
Core Modules
gem.solvers
gem.solvers.gem_solver
gem.solvers.gem_solver.gemSolver
gem.solvers.simple_ed
gem.solvers.simple_ed.add_particles
gem.solvers.simple_ed.build_cid_cj_csc
gem.solvers.simple_ed.build_rholoc_onfly
gem.solvers.simple_ed.build_two_body_ijkl_csc_2
gem.solvers.simple_ed.find_count
gem.solvers.simple_ed.residues
gem.solvers.simple_ed.table_ep
gem.solvers.simple_ed.table_es
gem.solvers.simple_ed.SimpleED
gem.solvers.solver_template
gem.solvers.solver_template.SolverTemplate
gem.fragment
gem.fragment.Fragment
Fragment
gem.fragment.Fragment.compute_Z
gem.fragment.Fragment.compute_energy
gem.fragment.Fragment.compute_self_energy
gem.fragment.Fragment.impose_orbital_symmetry
gem.fragment.Fragment.impose_spin_SU2_symmetry
gem.fragment.Fragment.solve_impurity
gem.fragment.Fragment.update_hybridization
gem.fragment.Fragment.update_self_energy
gem.fragment.Fragment.__init__
gem.fragment.Fragment.compute_Z
gem.fragment.Fragment.compute_energy
gem.fragment.Fragment.compute_self_energy
gem.fragment.Fragment.impose_orbital_symmetry
gem.fragment.Fragment.impose_spin_SU2_symmetry
gem.fragment.Fragment.solve_impurity
gem.fragment.Fragment.update_hybridization
gem.fragment.Fragment.update_self_energy
gem.lattice
gem.lattice.Lattice
Lattice
gem.lattice.Lattice.compute_Gloc
gem.lattice.Lattice.compute_ekin
gem.lattice.Lattice.compute_functional
gem.lattice.Lattice.fit_mu
gem.lattice.Lattice.fit_mu_fragment
gem.lattice.Lattice.fit_mu_quasiparticle
gem.lattice.Lattice.solve_qp
gem.lattice.Lattice.__init__
gem.lattice.Lattice.compute_Gloc
gem.lattice.Lattice.compute_ekin
gem.lattice.Lattice.compute_functional
gem.lattice.Lattice.fit_mu
gem.lattice.Lattice.fit_mu_fragment
gem.lattice.Lattice.fit_mu_quasiparticle
gem.lattice.Lattice.solve_qp
gem.gdmft
gem.gdmft.Gdmft
Gdmft
gem.gdmft.Gdmft.compute_energy
gem.gdmft.Gdmft.get_functional
gem.gdmft.Gdmft.__init__
gem.gdmft.Gdmft.compute_energy
gem.gdmft.Gdmft.get_functional
gem.gdmft.Gdmft.run
fragment
lattice
gdmft
— Simple Self-Consistency Driver
Solvers
Utilities
References
Reporting issues
Changelog
Version 0.1.0
About GEM
gem
API Reference
gem.solvers
gem.solvers.gem_solver
gem.solvers.gem_solver.gemSolver
gem.solvers.gem_solver.gemSolver.calc_density_matrix
View page source
gem.solvers.gem_solver.gemSolver.calc_density_matrix
gemSolver.
calc_density_matrix
(
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[source]