Getting Started
Installation
Theoretical Background
Quick Start
Tutorials
User Documentation
Spin Bath
Central Spins
Running the Simulations
Hamiltonian Parameters Input
Electronic Structure Output
Developer Documentation
CCE Calculators
Hamiltonian Functions
Utility Functions
ES Interface
PyCCE
Index
Index
A
|
B
|
C
|
D
|
E
|
F
|
G
|
H
|
I
|
K
|
L
|
M
|
N
|
O
|
P
|
Q
|
R
|
S
|
T
|
U
|
V
|
W
|
X
|
Y
|
Z
A
A (pycce.bath.array.BathArray property)
add_atoms() (pycce.bath.cell.BathCell method)
add_interaction() (pycce.bath.array.BathArray method)
(pycce.center.CenterArray method)
add_isotopes() (pycce.bath.cell.BathCell method)
add_single_jump() (pycce.bath.array.BathArray method)
(pycce.center.Center method)
(pycce.center.CenterArray method)
add_type() (pycce.bath.array.BathArray method)
(pycce.SpinDict method)
addition_operator() (pycce.run.base.RunObject method)
(pycce.run.corr.CCENoise method)
(pycce.run.corr.gCCENoise method)
alpha (pycce.center.Center property)
(pycce.center.CenterArray property)
(pycce.main.Simulator property)
alpha_index (pycce.center.Center attribute)
any() (pycce.bath.state.BathState method)
append() (pycce.run.pulses.Sequence method)
argsort() (in module pycce.bath.array)
as_delay (pycce.main.Simulator attribute)
(pycce.run.base.RunObject attribute)
B
base_hamiltonian (pycce.run.base.RunObject attribute)
BasePulse (class in pycce.run.pulses)
bath (pycce.main.Simulator property)
(pycce.run.base.RunObject attribute)
bath_angles (pycce.run.pulses.Pulse attribute)
bath_axes (pycce.run.pulses.Pulse attribute)
bath_external_point_dipole() (in module pycce.h.functions)
bath_hamiltonian() (in module pycce.h.total)
bath_interactions() (in module pycce.h.functions)
bath_mediated() (in module pycce.h.functions)
bath_names (pycce.run.pulses.Pulse attribute)
bath_state (pycce.main.Simulator attribute)
BathArray (class in pycce.bath.array)
BathCell (class in pycce.bath.cell)
BathState (class in pycce.bath.state)
beta (pycce.center.Center property)
(pycce.center.CenterArray property)
(pycce.main.Simulator property)
beta_index (pycce.center.Center attribute)
broadcast_array() (in module pycce.bath.array)
C
CCE (class in pycce.run.cce)
CCENoise (class in pycce.run.corr)
Center (class in pycce.center)
center (pycce.main.Simulator attribute)
(pycce.run.base.RunObject attribute)
center_external_addition() (in module pycce.h.functions)
center_interactions() (in module pycce.h.functions)
CenterArray (class in pycce.center)
central_hamiltonian() (in module pycce.h.total)
change_to_angstrom() (in module pycce.io.base)
check_flip() (pycce.run.pulses.BasePulse method)
check_gyro() (in module pycce.bath.array)
cluster (pycce.run.base.RunObject attribute)
cluster_evolved_states (pycce.run.base.RunObject attribute)
cluster_expansion_decorator() (in module pycce.run.clusters)
clusters (pycce.main.Simulator attribute)
(pycce.run.base.RunObject attribute)
combine_cluster_central() (in module pycce.run.base)
combine_clusters() (in module pycce.find_clusters)
common_concentrations (in module pycce.bath.array)
common_isotopes (in module pycce.bath.array)
compute() (pycce.main.Simulator method)
compute_correlations() (in module pycce.run.corr)
compute_result() (pycce.run.cce.CCE method)
(pycce.run.corr.CCENoise method)
(pycce.run.corr.gCCENoise method)
(pycce.run.gcce.gCCE method)
conditional_hyperfine() (in module pycce.h.functions)
connected_components() (in module pycce.find_clusters)
contribution_operator() (pycce.run.base.RunObject method)
(pycce.run.corr.CCENoise method)
(pycce.run.corr.gCCENoise method)
correlation_it_j0() (in module pycce.run.corr)
Cube (class in pycce.bath.cube)
custom_hamiltonian() (in module pycce.h.total)
custom_single() (in module pycce.h.total)
D
dd_tensor() (in module pycce.h.functions)
defect() (in module pycce.bath.cell)
delay (pycce.run.pulses.Pulse property)
delays (pycce.run.base.RunObject attribute)
detuning (pycce.bath.array.BathArray property)
(pycce.center.Center property)
DFTCoordinates (class in pycce.io.base)
dim (pycce.bath.array.BathArray property)
(pycce.center.Center property)
dimensions_spinvectors() (in module pycce.sm)
dipole_dipole() (in module pycce.h.functions)
direct (pycce.run.base.RunObject attribute)
direct_approach() (in module pycce.run.clusters)
dist() (pycce.bath.array.BathArray method)
dm0 (pycce.run.gcce.gCCE attribute)
E
eigenvectors (pycce.center.Center attribute)
energies (pycce.center.Center attribute)
(pycce.center.CenterArray attribute)
(pycce.run.cce.CCE attribute)
energy_alpha (pycce.center.CenterArray attribute)
(pycce.run.cce.CCE attribute)
energy_beta (pycce.center.CenterArray attribute)
(pycce.run.cce.CCE attribute)
error_range (pycce.main.Simulator property)
expand() (in module pycce.utilities)
expand_clusters() (in module pycce.find_clusters)
expanded_single() (in module pycce.h.functions)
ext_r_bath (pycce.main.Simulator property)
external_bath (pycce.main.Simulator property)
external_spins_field() (in module pycce.h.functions)
F
filterfunc() (in module pycce.filter)
find_first_index() (in module pycce.io.base)
find_subclusters() (in module pycce.find_clusters)
find_valid_subclusters() (in module pycce.find_clusters)
fixstates (pycce.main.Simulator attribute)
flip (pycce.run.pulses.BasePulse property)
fortran_value() (in module pycce.io.base)
from_ase() (pycce.bath.cell.BathCell class method)
from_center() (pycce.bath.array.BathArray method)
from_central_state() (in module pycce.run.base)
from_cube() (pycce.bath.array.BathArray method)
from_dict() (pycce.bath.map.InteractionMap class method)
from_efg() (pycce.bath.array.BathArray method)
from_func() (pycce.bath.array.BathArray method)
from_none() (in module pycce.run.base)
from_point_dipole() (pycce.bath.array.BathArray method)
from_sigma() (in module pycce.run.base)
from_simulator() (pycce.run.base.RunObject class method)
from_states() (in module pycce.run.base)
fulldm (pycce.main.Simulator attribute)
(pycce.run.gcce.gCCE attribute)
G
gaussian_phase() (in module pycce.filter)
gCCE (class in pycce.run.gcce)
gCCENoise (class in pycce.run.corr)
gen_pos_tensor() (in module pycce.h.functions)
gen_pure() (pycce.bath.state.BathState method)
gen_state_list() (in module pycce.utilities)
gen_supercell() (pycce.bath.cell.BathCell method)
generate_bath_state() (in module pycce.run.mc)
generate_clusters() (in module pycce.find_clusters)
(pycce.main.Simulator method)
generate_hamiltonian() (pycce.center.Center method)
(pycce.run.cce.CCE method)
(pycce.run.corr.CCENoise method)
(pycce.run.corr.gCCENoise method)
(pycce.run.gcce.gCCE method)
generate_initial_state() (in module pycce.run.base)
generate_projections() (pycce.center.CenterArray method)
generate_pulses() (pycce.run.base.RunObject method)
generate_rotated_projected_states() (in module pycce.run.base)
generate_rotation() (pycce.run.pulses.BasePulse method)
generate_sigma() (pycce.center.Center method)
(pycce.center.CenterArray method)
generate_states() (pycce.center.Center method)
(pycce.center.CenterArray method)
generate_supercluser_states() (pycce.run.base.RunObject method)
get_angstrom() (pycce.io.base.DFTCoordinates method)
get_energy() (pycce.center.CenterArray method)
get_hamiltonian_variable_bath_state() (pycce.run.base.RunObject method)
gyro (pycce.bath.array.BathArray property)
(pycce.center.Center property)
(pycce.center.CenterArray property)
H
h (pycce.bath.array.BathArray property)
(pycce.center.Center property)
(pycce.SpinType property)
Hamiltonian (class in pycce.h.base)
hamiltonian (pycce.center.Center attribute)
(pycce.run.base.RunObject attribute)
has_state (pycce.bath.array.BathArray property)
(pycce.bath.state.BathState property)
has_states (pycce.run.base.RunObject attribute)
hyperfine (pycce.main.Simulator property)
hyperfine() (in module pycce.h.functions)
I
imap (pycce.center.CenterArray property)
indexes (pycce.bath.map.InteractionMap property)
indices (pycce.run.pulses.BasePulse attribute)
initial_pulses (pycce.run.cce.CCE attribute)
initial_states_mask (pycce.run.base.RunObject attribute)
integrate() (pycce.bath.cube.Cube method)
InteractionMap (class in pycce.bath.map)
interlaced (pycce.main.Simulator attribute)
interlaced_decorator() (in module pycce.run.clusters)
interlaced_kernel() (pycce.run.base.RunObject method)
interlaced_run() (pycce.run.base.RunObject method)
items() (pycce.bath.map.InteractionMap method)
K
kernel() (pycce.run.base.RunObject method)
keys() (pycce.bath.map.InteractionMap method)
(pycce.sm.MatrixDict method)
L
level_confidence (pycce.main.Simulator attribute)
(pycce.run.cce.CCE attribute)
M
magnetic_field (pycce.main.Simulator property)
(pycce.run.base.RunObject attribute)
make_graph() (in module pycce.find_clusters)
masked (pycce.main.Simulator attribute)
(pycce.run.base.RunObject attribute)
MatrixDict (class in pycce.sm)
module
pycce.bath.array
pycce.bath.cell
pycce.bath.cube
pycce.bath.map
pycce.bath.state
pycce.filter
pycce.find_clusters
pycce.h.base
pycce.h.functions
pycce.h.total
pycce.io.base
pycce.io.orca
pycce.io.qe
pycce.run.base
pycce.run.cce
pycce.run.clusters
pycce.run.corr
pycce.run.gcce
pycce.run.mc
pycce.run.pulses
pycce.sm
pycce.utilities
monte_carlo_method_decorator() (in module pycce.run.mc)
N
N (pycce.bath.array.BathArray property)
n_clusters (pycce.main.Simulator property)
name (pycce.bath.array.BathArray property)
naxes (pycce.run.pulses.BasePulse property)
nbstates (pycce.main.Simulator attribute)
(pycce.run.base.RunObject attribute)
nc (pycce.bath.array.BathArray property)
normalization (pycce.run.gcce.gCCE attribute)
normalize() (in module pycce.utilities)
numba_gen_sm() (in module pycce.sm)
O
optimized_approach() (in module pycce.run.clusters)
order (pycce.main.Simulator property)
outer() (in module pycce.utilities)
overhauser_bath() (in module pycce.h.functions)
overhauser_central() (in module pycce.h.functions)
overhauser_from_tensors() (in module pycce.h.functions)
P
parallel (pycce.run.base.RunObject attribute)
parallel_states (pycce.run.base.RunObject attribute)
partial_inner_product() (in module pycce.utilities)
partial_trace() (in module pycce.utilities)
point_dipole() (in module pycce.bath.array)
(pycce.center.CenterArray method)
postprocess() (pycce.run.base.RunObject method)
(pycce.run.cce.CCE method)
(pycce.run.corr.CCENoise method)
(pycce.run.corr.gCCENoise method)
(pycce.run.gcce.gCCE method)
preprocess() (pycce.run.base.RunObject method)
(pycce.run.cce.CCE method)
(pycce.run.corr.CCENoise method)
(pycce.run.corr.gCCENoise method)
(pycce.run.gcce.gCCE method)
process_dm() (pycce.run.gcce.gCCE method)
proj (pycce.bath.array.BathArray property)
(pycce.bath.state.BathState property)
project() (pycce.bath.state.BathState method)
projected_addition() (in module pycce.h.functions)
projected_bath_state (pycce.main.Simulator attribute)
projected_states (pycce.run.base.RunObject attribute)
projections_alpha (pycce.center.Center attribute)
(pycce.run.cce.CCE attribute)
projections_alpha_all (pycce.center.Center attribute)
(pycce.run.cce.CCE attribute)
projections_beta (pycce.center.Center attribute)
(pycce.run.cce.CCE attribute)
projections_beta_all (pycce.center.Center attribute)
(pycce.run.cce.CCE attribute)
propagate_propagators() (in module pycce.run.cce)
propagator() (pycce.run.gcce.gCCE method)
propagators() (pycce.run.cce.CCE method)
Pulse (class in pycce.run.pulses)
pulse_bath_rotation() (in module pycce.run.base)
pulses (pycce.main.Simulator property)
(pycce.run.base.RunObject attribute)
(pycce.run.cce.CCE attribute)
pure (pycce.bath.state.BathState property)
pycce.bath.array
module
pycce.bath.cell
module
pycce.bath.cube
module
pycce.bath.map
module
pycce.bath.state
module
pycce.filter
module
pycce.find_clusters
module
pycce.h.base
module
pycce.h.functions
module
pycce.h.total
module
pycce.io.base
module
pycce.io.orca
module
pycce.io.qe
module
pycce.run.base
module
pycce.run.cce
module
pycce.run.clusters
module
pycce.run.corr
module
pycce.run.gcce
module
pycce.run.mc
module
pycce.run.pulses
module
pycce.sm
module
pycce.utilities
module
Q
Q (pycce.bath.array.BathArray property)
q (pycce.bath.array.BathArray property)
R
r_bath (pycce.main.Simulator property)
r_dipole (pycce.main.Simulator property)
rand_state() (in module pycce.run.base)
random_bath() (in module pycce.bath.cell)
read_ase() (in module pycce.bath.cell)
read_bath() (pycce.main.Simulator method)
read_orca() (in module pycce.io.orca)
read_qe() (in module pycce.io.qe)
removal_operator() (pycce.run.base.RunObject method)
(pycce.run.corr.CCENoise method)
(pycce.run.corr.gCCENoise method)
result (pycce.run.base.RunObject attribute)
result_operator() (pycce.run.base.RunObject method)
(pycce.run.corr.CCENoise method)
(pycce.run.corr.gCCENoise method)
rotate() (pycce.bath.cell.BathCell method)
rotate_coordinates() (in module pycce.utilities)
rotate_tensor() (in module pycce.utilities)
rotation (pycce.run.pulses.Pulse attribute)
rotation_propagator() (in module pycce.run.gcce)
rotations (pycce.run.base.RunObject attribute)
rotmatrix() (in module pycce.utilities)
run() (pycce.run.base.RunObject method)
run_with_total_bath() (pycce.run.base.RunObject method)
RunObject (class in pycce.run.base)
S
s (pycce.bath.array.BathArray property)
(pycce.center.Center property)
same_bath_indexes() (in module pycce.bath.array)
sampling_interlaced_run() (pycce.run.base.RunObject method)
sampling_run() (pycce.run.base.RunObject method)
savetxt() (pycce.bath.array.BathArray method)
second_order (pycce.main.Simulator attribute)
(pycce.run.cce.CCE attribute)
seed (pycce.main.Simulator attribute)
(pycce.run.base.RunObject attribute)
self_central() (in module pycce.h.functions)
Sequence (class in pycce.run.pulses)
set_angle() (pycce.run.pulses.BasePulse method)
set_gyro() (pycce.center.Center method)
(pycce.center.CenterArray method)
set_isotopes() (in module pycce.io.base)
set_magnetic_field() (pycce.main.Simulator method)
set_zdir() (pycce.bath.cell.BathCell method)
set_zfs() (pycce.center.Center method)
(pycce.center.CenterArray method)
(pycce.main.Simulator method)
shape (pycce.bath.state.BathState property)
shift() (pycce.bath.map.InteractionMap method)
shorten_dimensions() (in module pycce.utilities)
sigma (pycce.center.Center property)
simple_propagator() (in module pycce.run.base)
simple_propagators() (in module pycce.run.cce)
Simulator (class in pycce.main)
size (pycce.bath.state.BathState property)
sort() (in module pycce.bath.array)
(pycce.bath.array.BathArray method)
SpinDict (class in pycce)
SpinMatrix (class in pycce.sm)
SpinType (class in pycce)
spinvec() (in module pycce.sm)
state (pycce.bath.array.BathArray property)
(pycce.bath.state.BathState property)
(pycce.center.CenterArray property)
stevo() (in module pycce.sm)
store_states (pycce.run.base.RunObject attribute)
subspace() (pycce.bath.map.InteractionMap method)
T
tensor_vdot() (in module pycce.utilities)
timespace (pycce.main.Simulator attribute)
(pycce.run.base.RunObject attribute)
to_angstrom() (pycce.io.base.DFTCoordinates method)
to_cartesian() (pycce.bath.cell.BathCell method)
to_cell() (pycce.bath.cell.BathCell method)
total_hamiltonian() (in module pycce.h.total)
transform() (pycce.bath.cube.Cube method)
(pycce.center.Center method)
U
update() (pycce.bath.array.BathArray method)
use_pulses (pycce.run.cce.CCE attribute)
V
vec_tensor_vec() (in module pycce.utilities)
vecs_from_dims() (in module pycce.sm)
vector_from_s() (in module pycce.utilities)
vvdot() (in module pycce.utilities)
W
which (pycce.run.pulses.Pulse attribute)
X
x (pycce.bath.array.BathArray property)
(pycce.run.pulses.BasePulse property)
xyz (pycce.bath.array.BathArray property)
(pycce.center.Center property)
Y
y (pycce.bath.array.BathArray property)
(pycce.run.pulses.BasePulse property)
yield_index() (in module pycce.io.base)
Z
z (pycce.bath.array.BathArray property)
(pycce.run.pulses.BasePulse property)
zdir (pycce.bath.cell.BathCell property)
zeeman() (in module pycce.h.functions)
zero_cluster (pycce.run.gcce.gCCE attribute)
zfs (pycce.center.Center property)