gem
Contents
Installation
Dependencies
Core
Solvers
Testing
Documentation
Installation Steps
Custom CMake Options
API Reference
Core Modules
gem.solvers
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.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.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_ekin
gem.lattice.Lattice.compute_functional
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
gem.solvers
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
Utilities
gem.utility
gem.utility.delta_fit
gem.utility.delta_fit.F_of_H
gem.utility.delta_fit.build_H
gem.utility.delta_fit.dF_spectral
gem.utility.delta_fit.dH_dD
gem.utility.delta_fit.dH_dLambda
gem.utility.delta_fit.dH_dLambdac
gem.utility.delta_fit.dH_dR
gem.utility.delta_fit.fermi
gem.utility.delta_fit.fermi_prime
gem.utility.delta_fit.jacobian_LR
gem.utility.delta_fit.jacobian_LR_movement
gem.utility.delta_fit.jacobian_LcD
gem.utility.delta_fit.jacobian_LcD_movement
gem.utility.delta_fit.pack_params
gem.utility.delta_fit.residual_LR
gem.utility.delta_fit.residual_LR_movement
gem.utility.delta_fit.residual_LcD
gem.utility.delta_fit.residual_LcD_movement
gem.utility.delta_fit.solve_F_dF_LR_with_movement
gem.utility.delta_fit.solve_F_dF_LcD_with_movement
gem.utility.delta_fit.unpack_params
gem.utility.delta_fit.update_hybridization_thermal_penalty
gem.utility.delta_fit.update_self_energy_thermal_penalty
gem.utility.logo
gem.utility.logo.logo
gem.utility.utilities
gem.utility.utilities.Hermitian_list
gem.utility.utilities.U_matrix_kanamori
gem.utility.utilities.calc_Fermi
gem.utility.utilities.calc_Lambda
gem.utility.utilities.calc_Lambda_c
gem.utility.utilities.calc_nf
gem.utility.utilities.cut_small
gem.utility.utilities.dF
gem.utility.utilities.ddenRm1
gem.utility.utilities.denR
gem.utility.utilities.denRm1
gem.utility.utilities.funcMat
gem.utility.utilities.inverse_realHcombination
gem.utility.utilities.realHcombination
User Guide
Theoretical Background
The Ghost Gutzwiller Approximation
The ghost embedding functional
Self-Consistency Loop
Examples
References
Reporting issues
Changelog
Version 0.1.0
About gem
gem
API Reference
gem.utility
gem.utility.delta_fit
gem.utility.delta_fit.residual_LR
View page source
gem.utility.delta_fit.residual_LR
gem.utility.delta_fit.
residual_LR
(
x
,
beta
,
Lambda_c
,
D
,
F22_target
,
RTF12_target
)
[source]
Residual for Lambda+R fit.