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
Index
Index
_
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A
|
B
|
C
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F
|
G
|
H
|
I
|
L
|
M
|
R
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S
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T
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U
_
__init__() (gem.fragment.Fragment method)
(gem.gdmft.Gdmft method)
(gem.lattice.Lattice method)
(gem.solvers.gem_solver.gemSolver method)
(gem.solvers.simple_ed.SimpleED method)
(gem.solvers.solver_template.SolverTemplate method)
A
add_particles() (in module gem.solvers.simple_ed)
B
build_cid_cj_csc() (in module gem.solvers.simple_ed)
build_denmat_op() (gem.solvers.simple_ed.SimpleED method)
build_docc_op() (gem.solvers.simple_ed.SimpleED method)
build_h1e() (gem.solvers.simple_ed.SimpleED method)
build_Hemb() (gem.solvers.gem_solver.gemSolver method)
(gem.solvers.simple_ed.SimpleED method)
(gem.solvers.solver_template.SolverTemplate method)
build_one_body() (gem.solvers.simple_ed.SimpleED method)
build_rholoc_onfly() (in module gem.solvers.simple_ed)
build_S2_op() (gem.solvers.simple_ed.SimpleED method)
build_two_body() (gem.solvers.simple_ed.SimpleED method)
build_two_body_ijkl_csc_2() (in module gem.solvers.simple_ed)
C
calc_density_matrix() (gem.solvers.gem_solver.gemSolver method)
(gem.solvers.simple_ed.SimpleED method)
(gem.solvers.solver_template.SolverTemplate method)
calc_double_occ() (gem.solvers.gem_solver.gemSolver method)
(gem.solvers.simple_ed.SimpleED method)
(gem.solvers.solver_template.SolverTemplate method)
compute_E1loc() (gem.solvers.gem_solver.gemSolver method)
(gem.solvers.simple_ed.SimpleED method)
(gem.solvers.solver_template.SolverTemplate method)
compute_E2loc() (gem.solvers.gem_solver.gemSolver method)
(gem.solvers.simple_ed.SimpleED method)
(gem.solvers.solver_template.SolverTemplate method)
compute_ekin() (gem.lattice.Lattice method)
compute_energy() (gem.fragment.Fragment method)
(gem.gdmft.Gdmft method)
compute_functional() (gem.lattice.Lattice method)
compute_Gloc() (gem.lattice.Lattice method)
compute_self_energy() (gem.fragment.Fragment method)
compute_Z() (gem.fragment.Fragment method)
F
find_count() (in module gem.solvers.simple_ed)
fit_mu() (gem.lattice.Lattice method)
fit_mu_fragment() (gem.lattice.Lattice method)
fit_mu_quasiparticle() (gem.lattice.Lattice method)
Fragment (class in gem.fragment)
G
Gdmft (class in gem.gdmft)
gem.fragment
module
gem.gdmft
module
gem.lattice
module
gem.solvers
module
gem.solvers.gem_solver
module
gem.solvers.simple_ed
module
gem.solvers.solver_template
module
gemSolver (class in gem.solvers.gem_solver)
get_functional() (gem.gdmft.Gdmft method)
H
h5read_state() (gem.solvers.simple_ed.SimpleED method)
h5write_gs() (gem.solvers.simple_ed.SimpleED method)
I
impose_orbital_symmetry() (gem.fragment.Fragment method)
impose_spin_SU2_symmetry() (gem.fragment.Fragment method)
inner() (gem.solvers.simple_ed.SimpleED method)
L
Lattice (class in gem.lattice)
M
mandatory_methods (gem.solvers.gem_solver.gemSolver attribute)
(gem.solvers.simple_ed.SimpleED attribute)
(gem.solvers.solver_template.SolverTemplate attribute)
missing_methods() (gem.solvers.gem_solver.gemSolver method)
(gem.solvers.simple_ed.SimpleED method)
(gem.solvers.solver_template.SolverTemplate method)
module
gem.fragment
gem.gdmft
gem.lattice
gem.solvers
gem.solvers.gem_solver
gem.solvers.simple_ed
gem.solvers.solver_template
R
residues() (in module gem.solvers.simple_ed)
run() (gem.gdmft.Gdmft method)
S
SimpleED (class in gem.solvers.simple_ed)
solve_Hemb() (gem.solvers.gem_solver.gemSolver method)
(gem.solvers.simple_ed.SimpleED method)
(gem.solvers.solver_template.SolverTemplate method)
solve_impurity() (gem.fragment.Fragment method)
solve_qp() (gem.lattice.Lattice method)
SolverTemplate (class in gem.solvers.solver_template)
T
table_ep() (in module gem.solvers.simple_ed)
table_es() (in module gem.solvers.simple_ed)
U
update_hybridization() (gem.fragment.Fragment method)
update_self_energy() (gem.fragment.Fragment method)