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
Index
Index
_
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A
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B
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C
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D
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F
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G
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H
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I
|
J
|
L
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M
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P
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R
|
S
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T
|
U
_
__init__() (gem.fragment.Fragment method)
(gem.gdmft.Gdmft method)
(gem.lattice.Lattice 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_H() (in module gem.utility.delta_fit)
build_h1e() (gem.solvers.simple_ed.SimpleED method)
build_Hemb() (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.simple_ed.SimpleED method)
(gem.solvers.solver_template.SolverTemplate method)
calc_double_occ() (gem.solvers.simple_ed.SimpleED method)
calc_Fermi() (in module gem.utility.utilities)
calc_Lambda() (in module gem.utility.utilities)
calc_Lambda_c() (in module gem.utility.utilities)
calc_nf() (in module gem.utility.utilities)
compute_E1loc() (gem.solvers.simple_ed.SimpleED method)
(gem.solvers.solver_template.SolverTemplate method)
compute_E2loc() (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_Z() (gem.fragment.Fragment method)
cut_small() (in module gem.utility.utilities)
D
ddenRm1() (in module gem.utility.utilities)
denR() (in module gem.utility.utilities)
denRm1() (in module gem.utility.utilities)
dF() (in module gem.utility.utilities)
dF_spectral() (in module gem.utility.delta_fit)
dH_dD() (in module gem.utility.delta_fit)
dH_dLambda() (in module gem.utility.delta_fit)
dH_dLambdac() (in module gem.utility.delta_fit)
dH_dR() (in module gem.utility.delta_fit)
F
F_of_H() (in module gem.utility.delta_fit)
fermi() (in module gem.utility.delta_fit)
fermi_prime() (in module gem.utility.delta_fit)
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)
funcMat() (in module gem.utility.utilities)
G
Gdmft (class in gem.gdmft)
gem.fragment
module
gem.gdmft
module
gem.lattice
module
gem.solvers
module
gem.solvers.simple_ed
module
gem.solvers.solver_template
module
gem.utility
module
gem.utility.delta_fit
module
gem.utility.logo
module
gem.utility.utilities
module
get_functional() (gem.gdmft.Gdmft method)
H
h5read_state() (gem.solvers.simple_ed.SimpleED method)
h5write_gs() (gem.solvers.simple_ed.SimpleED method)
Hermitian_list() (in module gem.utility.utilities)
I
impose_orbital_symmetry() (gem.fragment.Fragment method)
impose_spin_SU2_symmetry() (gem.fragment.Fragment method)
inner() (gem.solvers.simple_ed.SimpleED method)
inverse_realHcombination() (in module gem.utility.utilities)
J
jacobian_LcD() (in module gem.utility.delta_fit)
jacobian_LcD_movement() (in module gem.utility.delta_fit)
jacobian_LR() (in module gem.utility.delta_fit)
jacobian_LR_movement() (in module gem.utility.delta_fit)
L
Lattice (class in gem.lattice)
logo() (in module gem.utility.logo)
M
module
gem.fragment
gem.gdmft
gem.lattice
gem.solvers
gem.solvers.simple_ed
gem.solvers.solver_template
gem.utility
gem.utility.delta_fit
gem.utility.logo
gem.utility.utilities
P
pack_params() (in module gem.utility.delta_fit)
R
realHcombination() (in module gem.utility.utilities)
residual_LcD() (in module gem.utility.delta_fit)
residual_LcD_movement() (in module gem.utility.delta_fit)
residual_LR() (in module gem.utility.delta_fit)
residual_LR_movement() (in module gem.utility.delta_fit)
residues() (in module gem.solvers.simple_ed)
run() (gem.gdmft.Gdmft method)
S
SimpleED (class in gem.solvers.simple_ed)
solve_F_dF_LcD_with_movement() (in module gem.utility.delta_fit)
solve_F_dF_LR_with_movement() (in module gem.utility.delta_fit)
solve_Hemb() (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
U_matrix_kanamori() (in module gem.utility.utilities)
unpack_params() (in module gem.utility.delta_fit)
update_hybridization() (gem.fragment.Fragment method)
update_hybridization_thermal_penalty() (in module gem.utility.delta_fit)
update_self_energy() (gem.fragment.Fragment method)
update_self_energy_thermal_penalty() (in module gem.utility.delta_fit)