PyBlock
latest
Contents:
DMRG Theoretical Aspects
pyblock API References
Block API References
PyBlock
Docs
»
Index
Edit on GitHub
Index
A
|
B
|
C
|
D
|
E
|
F
|
G
|
H
|
I
|
J
|
K
|
L
|
M
|
N
|
O
|
P
|
Q
|
R
|
S
|
T
|
U
|
V
|
W
|
Z
A
A (pyblock.qchem.operator.OpNames attribute)
activate() (pyblock.qchem.contractor.DataPage method)
(pyblock.qchem.contractor.DMRGDataPage method)
activate_data_page() (in module block.data_page)
AD (pyblock.qchem.operator.OpNames attribute)
add() (pyblock.tensor.tensor.TensorNetwork method)
add_additional_ops() (block.block.Block method)
add_all_comp_ops() (block.block.Block method)
add_noise() (pyblock.tensor.tensor.SubTensor method)
(pyblock.tensor.tensor.Tensor method)
add_tags() (pyblock.tensor.tensor.Tensor method)
(pyblock.tensor.tensor.TensorNetwork method)
additional_noise (block.dmrg.SweepParams attribute)
algorithm_type (block.io.Input attribute)
AlgorithmTypes (class in block.io)
align() (pyblock.tensor.tensor.Tensor method)
allocate() (block.operator.StackSparseMatrix method)
allocate_memory() (block.operator.StackSparseMatrix method)
allowed() (block.operator.StackSparseMatrix method)
AllRules (class in pyblock.qchem.simplifier)
Ancilla (class in pyblock.qchem.ancilla.mpo)
AncillaLineCoupling (class in pyblock.qchem.ancilla.mps)
AncillaMPS (class in pyblock.qchem.ancilla.mps)
append() (block.block.VectorBlock method)
(block.VectorBool method)
(block.VectorDouble method)
(block.VectorInt method)
(block.VectorMatrix method)
(block.VectorVectorInt method)
(block.VectorVectorMatrix method)
(block.operator.VectorCre method)
(block.operator.VectorCreCre method)
(block.operator.VectorCreCreComp method)
(block.operator.VectorCreCreDesComp method)
(block.operator.VectorCreDes method)
(block.operator.VectorCreDesComp method)
(block.operator.VectorCreDesDesComp method)
(block.operator.VectorDes method)
(block.operator.VectorDesCre method)
(block.operator.VectorDesCreComp method)
(block.operator.VectorDesDes method)
(block.operator.VectorDesDesComp method)
(block.operator.VectorHamiltonian method)
(block.operator.VectorNonZeroStackMatrix method)
(block.operator.VectorOperatorArrayBase method)
(block.operator.VectorOverlap method)
(block.operator.VectorStackSparseMatrix method)
(block.operator.VectorWavefunction method)
(block.symmetry.VectorSpinQuantum method)
(block.symmetry.VectorStateInfo method)
apply() (pyblock.numerical.davidson.Matrix method)
(pyblock.qchem.contractor.BlockMultiplyH method)
(pyblock.qchem.contractor.DMRGContractor method)
avail (pyblock.qchem.parallelizer.ParaProperty attribute)
B
B (pyblock.qchem.operator.OpNames attribute)
backward_starting_size (block.dmrg.SweepParams attribute)
Basic (block.block.GuessWaveTypes attribute)
basis_transform() (in module pyblock.symmetry.basis)
Block (class in block.block)
block (module)
block.block (module)
block.data_page (module)
block.dmrg (module)
block.io (module)
block.operator (module)
block.rev (module)
block.symmetry (module)
block_and_decimate() (in module block.dmrg)
(pyblock.legacy.block_dmrg.DMRG method)
block_iter (block.dmrg.SweepParams attribute)
block_operator_summary() (pyblock.qchem.core.BlockHamiltonian static method)
BlockError
BlockEvaluation (class in pyblock.qchem.core)
BlockHamiltonian (class in pyblock.qchem.core)
blocking() (pyblock.algorithm.compress.Compress method)
(pyblock.algorithm.dmrg.DMRG method)
(pyblock.algorithm.expectation.Expect method)
(pyblock.algorithm.time_evolution.ExpoApply method)
BlockMultiplyH (class in pyblock.qchem.contractor)
BlockSymmetry (class in pyblock.qchem.core)
BlockWavefunction (class in pyblock.qchem.contractor)
bond_left() (pyblock.qchem.contractor.DMRGContractor method)
bond_right() (pyblock.qchem.contractor.DMRGContractor method)
bond_upper_limit_left() (pyblock.qchem.contractor.DMRGContractor method)
bond_upper_limit_right() (pyblock.qchem.contractor.DMRGContractor method)
bra_state_info (block.block.Block attribute)
build_identity() (pyblock.tensor.tensor.Tensor method)
build_random() (pyblock.tensor.tensor.SubTensor method)
(pyblock.tensor.tensor.Tensor method)
build_rank3_cg() (pyblock.tensor.tensor.SubTensor method)
(pyblock.tensor.tensor.Tensor method)
build_zero() (pyblock.tensor.tensor.SubTensor method)
(pyblock.tensor.tensor.Tensor method)
C
C (pyblock.qchem.operator.OpNames attribute)
Cached (pyblock.qchem.operator.OpElement attribute)
(pyblock.symmetry.symmetry.PGC1 attribute)
(pyblock.symmetry.symmetry.PGC2V attribute)
(pyblock.symmetry.symmetry.PGCI attribute)
(pyblock.symmetry.symmetry.PGD2H attribute)
(pyblock.symmetry.symmetry.SU2 attribute)
(pyblock.symmetry.symmetry.SU2Proj attribute)
CachedM (pyblock.symmetry.symmetry.ParticleN attribute)
(pyblock.symmetry.symmetry.SZ attribute)
CachedP (pyblock.symmetry.symmetry.ParticleN attribute)
(pyblock.symmetry.symmetry.SZ attribute)
calldmrg() (in module block.dmrg)
canonicalize() (pyblock.qchem.mps.MPS method)
CG (class in pyblock.symmetry.cg)
clean() (pyblock.qchem.contractor.DMRGDataPage method)
clear() (block.block.Block method)
(block.operator.StackSparseMatrix method)
clear_copy() (pyblock.numerical.davidson.Vector method)
(pyblock.qchem.contractor.BlockWavefunction method)
clebsch_gordan() (pyblock.symmetry.cg.SU2CG static method)
(pyblock.symmetry.symmetry.ParticleN static method)
(pyblock.symmetry.symmetry.PointGroup static method)
(pyblock.symmetry.symmetry.SU2 static method)
(pyblock.symmetry.symmetry.SZ static method)
collect_quanta() (block.symmetry.StateInfo method)
cols (block.DiagonalMatrix attribute)
(block.Matrix attribute)
(block.operator.StackMatrix attribute)
(block.operator.StackSparseMatrix attribute)
Compress (class in pyblock.algorithm.compress)
CompressionError
conjugacy (block.operator.StackSparseMatrix attribute)
construct_envs() (pyblock.algorithm.compress.Compress method)
(pyblock.algorithm.dmrg.DMRG method)
(pyblock.algorithm.expectation.Expect method)
(pyblock.algorithm.time_evolution.ExpoApply method)
contract() (pyblock.qchem.contractor.DMRGContractor method)
(pyblock.tensor.tensor.Tensor static method)
(pyblock.tensor.tensor.TensorNetwork method)
ContractionError
copy() (block.symmetry.StateInfo method)
(pyblock.numerical.davidson.Vector method)
(pyblock.qchem.contractor.BlockWavefunction method)
(pyblock.qchem.fcidump.TInt method)
(pyblock.qchem.mpo.DualOperatorTensor method)
(pyblock.qchem.mpo.OperatorTensor method)
(pyblock.symmetry.symmetry.SU2Proj method)
(pyblock.tensor.tensor.Tensor method)
(pyblock.tensor.tensor.TensorNetwork method)
copy_data() (block.operator.Wavefunction method)
(pyblock.numerical.davidson.Vector method)
(pyblock.qchem.contractor.BlockWavefunction method)
count() (block.operator.VectorCre method)
(block.VectorBool method)
(block.VectorDouble method)
(block.VectorInt method)
(block.VectorMatrix method)
(block.VectorVectorInt method)
(block.VectorVectorMatrix method)
(block.operator.VectorCreCre method)
(block.operator.VectorCreCreComp method)
(block.operator.VectorCreCreDesComp method)
(block.operator.VectorCreDes method)
(block.operator.VectorCreDesComp method)
(block.operator.VectorCreDesDesComp method)
(block.operator.VectorDes method)
(block.operator.VectorDesCre method)
(block.operator.VectorDesCreComp method)
(block.operator.VectorDesDes method)
(block.operator.VectorDesDesComp method)
(block.operator.VectorHamiltonian method)
(block.operator.VectorOperatorArrayBase method)
(block.operator.VectorOverlap method)
(block.operator.VectorStackSparseMatrix method)
(block.symmetry.VectorSpinQuantum method)
(block.symmetry.VectorStateInfo method)
Cre (block.operator.OpTypes attribute)
CreCre (block.operator.OpTypes attribute)
CreCreComp (block.operator.OpTypes attribute)
CreCreDesComp (block.operator.OpTypes attribute)
CreDes (block.operator.OpTypes attribute)
CreDesComp (block.operator.OpTypes attribute)
CreDesDesComp (block.operator.OpTypes attribute)
CumulTimer (class in block.io)
current_root (block.dmrg.SweepParams attribute)
D
D (pyblock.qchem.operator.OpNames attribute)
DataPage (class in pyblock.qchem.contractor)
davidson() (in module pyblock.numerical.davidson)
davidson_tol (block.dmrg.SweepParams attribute)
DavidsonError
deallocate() (block.block.Block method)
(block.operator.StackSparseMatrix method)
(pyblock.numerical.davidson.Vector method)
(pyblock.qchem.contractor.BlockWavefunction method)
deep_clear_copy() (block.operator.StackSparseMatrix method)
deep_copy() (block.operator.StackSparseMatrix method)
(pyblock.qchem.mps.MPS method)
(pyblock.tensor.tensor.Tensor method)
(pyblock.tensor.tensor.TensorNetwork method)
delta_quantum (block.operator.StackSparseMatrix attribute)
DensityMatrix (class in block.operator)
Des (block.operator.OpTypes attribute)
DesCre (block.operator.OpTypes attribute)
DesCreComp (block.operator.OpTypes attribute)
DesDes (block.operator.OpTypes attribute)
DesDesComp (block.operator.OpTypes attribute)
diag() (pyblock.numerical.davidson.Matrix method)
(pyblock.qchem.contractor.BlockMultiplyH method)
diag_eigs() (pyblock.tensor.tensor.Tensor method)
diag_norm() (pyblock.numerical.davidson.Matrix method)
(pyblock.qchem.contractor.BlockMultiplyH method)
diagonal_h() (block.block.Block method)
DiagonalMatrix (class in block)
DirectProdGroup (class in pyblock.symmetry.symmetry)
DistributedStorage (block.block.StorageTypes attribute)
DMRG (class in pyblock.algorithm.dmrg)
(class in pyblock.legacy.block_dmrg)
dmrg() (in module block.dmrg)
(pyblock.legacy.block_dmrg.DMRG method)
DMRGContractor (class in pyblock.qchem.contractor)
DMRGDataPage (class in pyblock.qchem.contractor)
DMRGError
dmrginp (block.io.Global attribute)
do_one() (in module block.dmrg)
(pyblock.legacy.block_dmrg.DMRG method)
dot() (pyblock.numerical.davidson.Vector method)
(pyblock.qchem.contractor.BlockWavefunction method)
DualOperatorTensor (class in pyblock.qchem.mpo)
E
effective_molecule_quantum_vec() (block.io.Input method)
eigen_values() (pyblock.qchem.core.BlockEvaluation class method)
eigs() (pyblock.qchem.contractor.DMRGContractor method)
elapsed_cputime() (block.io.Timer method)
elapsed_walltime() (block.io.Timer method)
env_add (block.dmrg.SweepParams attribute)
equal_shape() (pyblock.tensor.tensor.SubTensor method)
(pyblock.tensor.tensor.Tensor method)
Expect (class in pyblock.algorithm.expectation)
expect() (pyblock.qchem.contractor.BlockMultiplyH method)
(pyblock.qchem.contractor.DMRGContractor method)
ExpectationError
expo() (in module pyblock.numerical.expo)
expo_apply() (pyblock.qchem.contractor.DMRGContractor method)
ExpoApply (class in pyblock.algorithm.time_evolution)
expr_diagonal_eval() (pyblock.qchem.core.BlockEvaluation class method)
expr_eval() (pyblock.qchem.core.BlockEvaluation class method)
expr_expectation() (pyblock.qchem.core.BlockEvaluation class method)
expr_multiply_eval() (pyblock.qchem.core.BlockEvaluation class method)
expr_perturbative_density_eval() (pyblock.qchem.core.BlockEvaluation method)
extend() (block.block.VectorBlock method)
(block.VectorBool method)
(block.VectorDouble method)
(block.VectorInt method)
(block.VectorMatrix method)
(block.VectorVectorInt method)
(block.VectorVectorMatrix method)
(block.operator.VectorCre method)
(block.operator.VectorCreCre method)
(block.operator.VectorCreCreComp method)
(block.operator.VectorCreCreDesComp method)
(block.operator.VectorCreDes method)
(block.operator.VectorCreDesComp method)
(block.operator.VectorCreDesDesComp method)
(block.operator.VectorDes method)
(block.operator.VectorDesCre method)
(block.operator.VectorDesCreComp method)
(block.operator.VectorDesDes method)
(block.operator.VectorDesDesComp method)
(block.operator.VectorHamiltonian method)
(block.operator.VectorNonZeroStackMatrix method)
(block.operator.VectorOperatorArrayBase method)
(block.operator.VectorOverlap method)
(block.operator.VectorStackSparseMatrix method)
(block.operator.VectorWavefunction method)
(block.symmetry.VectorSpinQuantum method)
(block.symmetry.VectorStateInfo method)
F
factor (pyblock.qchem.operator.OpElement attribute)
(pyblock.qchem.operator.OpString attribute)
fermion (block.operator.StackSparseMatrix attribute)
fill_identity() (pyblock.qchem.mps.MPS method)
fill_thermal_limit() (pyblock.qchem.ancilla.mps.AncillaMPS method)
finalize() (pyblock.legacy.block_dmrg.DMRG method)
find_index() (pyblock.qchem.fcidump.TInt method)
(pyblock.qchem.fcidump.UVInt method)
(pyblock.qchem.fcidump.VInt method)
fit() (pyblock.qchem.mps.MPS method)
(pyblock.tensor.tensor.Tensor method)
forward_starting_size (block.dmrg.SweepParams attribute)
FreeEnergy (class in pyblock.qchem.thermal)
from_left_rotation_matrix() (pyblock.qchem.mps.MPSInfo method)
from_right_rotation_matrix() (pyblock.qchem.mps.MPSInfo method)
from_spin_quantum() (pyblock.qchem.core.BlockSymmetry class method)
from_state_info() (pyblock.qchem.core.BlockSymmetry class method)
from_tensor_network() (pyblock.qchem.mps.MPS static method)
from_wavefunction_fused() (pyblock.qchem.mps.MPSInfo method)
fuse_index() (pyblock.tensor.tensor.Tensor method)
fuse_left() (pyblock.qchem.contractor.DMRGContractor method)
fuse_right() (pyblock.qchem.contractor.DMRGContractor method)
G
gen_block_block_and_decimate() (pyblock.legacy.block_dmrg.DMRG method)
gen_block_do_one() (pyblock.legacy.block_dmrg.DMRG method)
get() (pyblock.qchem.contractor.DataPage method)
(pyblock.qchem.contractor.DMRGDataPage method)
(pyblock.qchem.core.BlockHamiltonian static method)
get_1pdm() (pyblock.algorithm.expectation.Expect method)
get_1pdm_spatial() (pyblock.algorithm.expectation.Expect method)
get_commute_parity() (in module block.symmetry)
get_current_memory() (pyblock.qchem.core.BlockHamiltonian static method)
get_current_stack_memory() (in module block.io)
get_data_page_pointer() (in module block.data_page)
get_diag_density_matrix() (pyblock.tensor.tensor.Tensor method)
get_dot_with_sys() (in module block.dmrg)
get_left_rotation_matrix() (pyblock.qchem.mps.MPSInfo method)
get_left_state_info() (pyblock.qchem.mps.MPSInfo method)
get_right_rotation_matrix() (pyblock.qchem.mps.MPSInfo method)
get_right_state_info() (pyblock.qchem.mps.MPSInfo method)
get_scaling() (block.operator.StackSparseMatrix method)
get_site_operators() (pyblock.qchem.core.BlockHamiltonian method)
get_site_tensors() (block.dmrg.MPS method)
get_w() (block.dmrg.MPS method)
get_wavefunction_fused() (pyblock.qchem.mps.MPSInfo method)
Global (class in block.io)
global_element_linear() (block.operator.OperatorArrayCre method)
(block.operator.OperatorArrayCreCre method)
(block.operator.OperatorArrayCreCreComp method)
(block.operator.OperatorArrayCreCreDesComp method)
(block.operator.OperatorArrayCreDes method)
(block.operator.OperatorArrayCreDesComp method)
(block.operator.OperatorArrayCreDesDesComp method)
(block.operator.OperatorArrayDes method)
(block.operator.OperatorArrayDesCre method)
(block.operator.OperatorArrayDesCreComp method)
(block.operator.OperatorArrayDesDes method)
(block.operator.OperatorArrayDesDesComp method)
(block.operator.OperatorArrayHamiltonian method)
(block.operator.OperatorArrayOverlap method)
global_indices (block.operator.OperatorArrayCre attribute)
(block.operator.OperatorArrayCreCre attribute)
(block.operator.OperatorArrayCreCreComp attribute)
(block.operator.OperatorArrayCreCreDesComp attribute)
(block.operator.OperatorArrayCreDes attribute)
(block.operator.OperatorArrayCreDesComp attribute)
(block.operator.OperatorArrayCreDesDesComp attribute)
(block.operator.OperatorArrayDes attribute)
(block.operator.OperatorArrayDesCre attribute)
(block.operator.OperatorArrayDesCreComp attribute)
(block.operator.OperatorArrayDesDes attribute)
(block.operator.OperatorArrayDesDesComp attribute)
(block.operator.OperatorArrayHamiltonian attribute)
(block.operator.OperatorArrayOverlap attribute)
guess_type (block.dmrg.SweepParams attribute)
guess_wavefunction() (in module block.dmrg)
GuessWaveTypes (class in block.block)
GVInt (class in pyblock.qchem.fcidump)
H
H (pyblock.qchem.operator.OpNames attribute)
Hamiltonian (block.operator.OpTypes attribute)
has_global() (block.operator.OperatorArrayCre method)
(block.operator.OperatorArrayCreCre method)
(block.operator.OperatorArrayCreCreComp method)
(block.operator.OperatorArrayCreCreDesComp method)
(block.operator.OperatorArrayCreDes method)
(block.operator.OperatorArrayCreDesComp method)
(block.operator.OperatorArrayCreDesDesComp method)
(block.operator.OperatorArrayDes method)
(block.operator.OperatorArrayDesCre method)
(block.operator.OperatorArrayDesCreComp method)
(block.operator.OperatorArrayDesDes method)
(block.operator.OperatorArrayDesDesComp method)
(block.operator.OperatorArrayHamiltonian method)
(block.operator.OperatorArrayOverlap method)
has_local() (block.operator.OperatorArrayCre method)
(block.operator.OperatorArrayCreCre method)
(block.operator.OperatorArrayCreCreComp method)
(block.operator.OperatorArrayCreCreDesComp method)
(block.operator.OperatorArrayCreDes method)
(block.operator.OperatorArrayCreDesComp method)
(block.operator.OperatorArrayCreDesDesComp method)
(block.operator.OperatorArrayDes method)
(block.operator.OperatorArrayDesCre method)
(block.operator.OperatorArrayDesCreComp method)
(block.operator.OperatorArrayDesDes method)
(block.operator.OperatorArrayDesDesComp method)
(block.operator.OperatorArrayHamiltonian method)
(block.operator.OperatorArrayOverlap method)
HashIrrep (class in pyblock.symmetry.symmetry)
hf_occupancy (block.io.Input attribute)
I
I (pyblock.qchem.operator.OpNames attribute)
IdentityMPO (class in pyblock.qchem.mpo)
IdentityMPOInfo (class in pyblock.qchem.mpo)
init_big_block() (in module block.block)
init_data_pages() (in module block.data_page)
init_environments() (pyblock.algorithm.dmrg.MovingEnvironment method)
init_new_environment_block() (in module block.block)
init_new_system_block() (in module block.block)
init_stack_memory() (in module block.io)
init_starting_block() (in module block.block)
initial_state_info() (pyblock.qchem.core.BlockSymmetry class method)
initialize() (block.operator.Wavefunction method)
(pyblock.qchem.contractor.DMRGDataPage method)
(pyblock.qchem.contractor.DataPage method)
initialize_from() (block.operator.Wavefunction method)
initialized (block.operator.StackSparseMatrix attribute)
Input (class in block.io)
insert() (block.block.VectorBlock method)
(block.VectorBool method)
(block.VectorDouble method)
(block.VectorInt method)
(block.VectorMatrix method)
(block.VectorVectorInt method)
(block.VectorVectorMatrix method)
(block.operator.VectorCre method)
(block.operator.VectorCreCre method)
(block.operator.VectorCreCreComp method)
(block.operator.VectorCreCreDesComp method)
(block.operator.VectorCreDes method)
(block.operator.VectorCreDesComp method)
(block.operator.VectorCreDesDesComp method)
(block.operator.VectorDes method)
(block.operator.VectorDesCre method)
(block.operator.VectorDesCreComp method)
(block.operator.VectorDesDes method)
(block.operator.VectorDesDesComp method)
(block.operator.VectorHamiltonian method)
(block.operator.VectorNonZeroStackMatrix method)
(block.operator.VectorOperatorArrayBase method)
(block.operator.VectorOverlap method)
(block.operator.VectorStackSparseMatrix method)
(block.operator.VectorWavefunction method)
(block.symmetry.VectorSpinQuantum method)
(block.symmetry.VectorStateInfo method)
integral_index (pyblock.legacy.block_dmrg.DMRG attribute)
InverseElem (pyblock.symmetry.symmetry.PGC1 attribute)
(pyblock.symmetry.symmetry.PGC2V attribute)
(pyblock.symmetry.symmetry.PGCI attribute)
(pyblock.symmetry.symmetry.PGD2H attribute)
(pyblock.symmetry.symmetry.PointGroup attribute)
irrep (block.symmetry.IrrepSpace attribute)
(block.symmetry.SpinSpace attribute)
IrrepNames (pyblock.symmetry.symmetry.PGC1 attribute)
(pyblock.symmetry.symmetry.PGC2 attribute)
(pyblock.symmetry.symmetry.PGC2H attribute)
(pyblock.symmetry.symmetry.PGC2V attribute)
(pyblock.symmetry.symmetry.PGCI attribute)
(pyblock.symmetry.symmetry.PGCS attribute)
(pyblock.symmetry.symmetry.PGD2 attribute)
(pyblock.symmetry.symmetry.PGD2H attribute)
(pyblock.symmetry.symmetry.PointGroup attribute)
IrrepSpace (class in block.symmetry)
is_spin_adapted (block.io.Input attribute)
items() (block.block.MapOperators method)
(block.operator.MapPairInt method)
J
j (pyblock.symmetry.symmetry.SU2 attribute)
jz (pyblock.symmetry.symmetry.SU2Proj attribute)
K
ket_state_info (block.block.Block attribute)
L
largest_dw (block.dmrg.SweepParams attribute)
left_block (block.block.Block attribute)
left_canonicalize() (pyblock.tensor.tensor.Tensor method)
left_contract() (pyblock.qchem.core.BlockEvaluation class method)
left_multiply() (pyblock.tensor.tensor.Tensor method)
left_right_contract() (pyblock.qchem.core.BlockEvaluation class method)
left_rotate() (pyblock.qchem.core.BlockEvaluation class method)
left_state_info (block.symmetry.StateInfo attribute)
left_unmap_quanta (block.symmetry.StateInfo attribute)
LineCoupling (class in pyblock.qchem.mps)
load() (pyblock.qchem.contractor.DataPage method)
(pyblock.qchem.contractor.DMRGDataPage method)
load_data_page() (in module block.data_page)
load_rotation_matrix() (in module block)
local_element() (block.operator.OperatorArrayCre method)
(block.operator.OperatorArrayCreCre method)
(block.operator.OperatorArrayCreCreComp method)
(block.operator.OperatorArrayCreCreDesComp method)
(block.operator.OperatorArrayCreDes method)
(block.operator.OperatorArrayCreDesComp method)
(block.operator.OperatorArrayCreDesDesComp method)
(block.operator.OperatorArrayDes method)
(block.operator.OperatorArrayDesCre method)
(block.operator.OperatorArrayDesCreComp method)
(block.operator.OperatorArrayDesDes method)
(block.operator.OperatorArrayDesDesComp method)
(block.operator.OperatorArrayHamiltonian method)
(block.operator.OperatorArrayOverlap method)
local_element_linear() (block.operator.OperatorArrayCre method)
(block.operator.OperatorArrayCreCre method)
(block.operator.OperatorArrayCreCreComp method)
(block.operator.OperatorArrayCreCreDesComp method)
(block.operator.OperatorArrayCreDes method)
(block.operator.OperatorArrayCreDesComp method)
(block.operator.OperatorArrayCreDesDesComp method)
(block.operator.OperatorArrayDes method)
(block.operator.OperatorArrayDesCre method)
(block.operator.OperatorArrayDesCreComp method)
(block.operator.OperatorArrayDesDes method)
(block.operator.OperatorArrayDesDesComp method)
(block.operator.OperatorArrayHamiltonian method)
(block.operator.OperatorArrayOverlap method)
local_indices (block.operator.OperatorArrayCre attribute)
(block.operator.OperatorArrayCreCre attribute)
(block.operator.OperatorArrayCreCreComp attribute)
(block.operator.OperatorArrayCreCreDesComp attribute)
(block.operator.OperatorArrayCreDes attribute)
(block.operator.OperatorArrayCreDesComp attribute)
(block.operator.OperatorArrayCreDesDesComp attribute)
(block.operator.OperatorArrayDes attribute)
(block.operator.OperatorArrayDesCre attribute)
(block.operator.OperatorArrayDesCreComp attribute)
(block.operator.OperatorArrayDesDes attribute)
(block.operator.OperatorArrayDesDesComp attribute)
(block.operator.OperatorArrayHamiltonian attribute)
(block.operator.OperatorArrayOverlap attribute)
LocalMPO (class in pyblock.qchem.mpo)
LocalMPOInfo (class in pyblock.qchem.mpo)
LocalStorage (block.block.StorageTypes attribute)
loop_block (block.block.Block attribute)
lowest_energy (block.dmrg.SweepParams attribute)
lowest_energy_spin (block.dmrg.SweepParams attribute)
lowest_error (block.dmrg.SweepParams attribute)
M
make_system_environment_big_overlap_blocks() (in module block.dmrg)
map_to_non_zero_blocks (block.operator.StackSparseMatrix attribute)
MapOperators (class in block.block)
MapPairInt (class in block.operator)
Matrix (class in block)
(class in pyblock.numerical.davidson)
modify() (pyblock.tensor.tensor.Tensor method)
molecule_quantum (block.io.Input attribute)
move_and_free_memory() (block.block.Block method)
move_to() (pyblock.algorithm.dmrg.MovingEnvironment method)
MovingEnvironment (class in pyblock.algorithm.dmrg)
MPO (class in pyblock.qchem.mpo)
MPOInfo (class in pyblock.qchem.mpo)
MPS (class in block.dmrg)
(class in pyblock.qchem.mps)
MPS_init() (in module block.dmrg)
MPSInfo (class in pyblock.qchem.mps)
multiplicity (pyblock.symmetry.symmetry.ParticleN attribute)
(pyblock.symmetry.symmetry.PointGroup attribute)
(pyblock.symmetry.symmetry.SU2 attribute)
(pyblock.symmetry.symmetry.SU2Proj attribute)
(pyblock.symmetry.symmetry.SZ attribute)
multiply_overlap() (block.block.Block method)
multiply_with_own_transpose() (in module block.operator)
N
n (block.symmetry.SpinQuantum attribute)
N (pyblock.qchem.operator.OpNames attribute)
n_block_iters (block.dmrg.SweepParams attribute)
n_blocks (pyblock.tensor.tensor.Tensor attribute)
n_electrons (block.io.Input attribute)
n_global_nz (block.operator.OperatorArrayCre attribute)
(block.operator.OperatorArrayCreCre attribute)
(block.operator.OperatorArrayCreCreComp attribute)
(block.operator.OperatorArrayCreCreDesComp attribute)
(block.operator.OperatorArrayCreDes attribute)
(block.operator.OperatorArrayCreDesComp attribute)
(block.operator.OperatorArrayCreDesDesComp attribute)
(block.operator.OperatorArrayDes attribute)
(block.operator.OperatorArrayDesCre attribute)
(block.operator.OperatorArrayDesCreComp attribute)
(block.operator.OperatorArrayDesDes attribute)
(block.operator.OperatorArrayDesDesComp attribute)
(block.operator.OperatorArrayHamiltonian attribute)
(block.operator.OperatorArrayOverlap attribute)
n_keep_qstates (block.dmrg.SweepParams attribute)
n_keep_states (block.dmrg.SweepParams attribute)
n_local_nz (block.operator.OperatorArrayCre attribute)
(block.operator.OperatorArrayCreCre attribute)
(block.operator.OperatorArrayCreCreComp attribute)
(block.operator.OperatorArrayCreCreDesComp attribute)
(block.operator.OperatorArrayCreDes attribute)
(block.operator.OperatorArrayCreDesComp attribute)
(block.operator.OperatorArrayCreDesDesComp attribute)
(block.operator.OperatorArrayDes attribute)
(block.operator.OperatorArrayDesCre attribute)
(block.operator.OperatorArrayDesCreComp attribute)
(block.operator.OperatorArrayDesDes attribute)
(block.operator.OperatorArrayDesDesComp attribute)
(block.operator.OperatorArrayHamiltonian attribute)
(block.operator.OperatorArrayOverlap attribute)
n_max_iters (block.io.Input attribute)
n_roots() (block.io.Input method)
n_states (block.symmetry.StateInfo attribute)
n_sweep_iters (block.dmrg.MPS attribute)
n_total_states (block.symmetry.StateInfo attribute)
name (block.block.Block attribute)
(pyblock.qchem.operator.OpElement attribute)
ng (pyblock.tensor.tensor.Tensor attribute)
NN (pyblock.qchem.operator.OpNames attribute)
noise (block.dmrg.SweepParams attribute)
non_abelian_sym (block.io.Global attribute)
non_zero_blocks (block.operator.StackSparseMatrix attribute)
norm() (pyblock.tensor.tensor.Tensor method)
normalize() (pyblock.numerical.davidson.Vector method)
(pyblock.qchem.contractor.BlockWavefunction method)
NoSimplifier (class in pyblock.qchem.simplifier)
NoTransposeRules (class in pyblock.qchem.simplifier)
NPDM() (pyblock.qchem.ancilla.mpo.Ancilla static method)
NRMMPO (class in pyblock.qchem.npdm.mpo)
NRMMPOInfo (class in pyblock.qchem.npdm.mpo)
NSqrtFact (pyblock.symmetry.cg.CG attribute)
NUD (pyblock.qchem.operator.OpNames attribute)
O
Occupation (class in pyblock.qchem.occupation)
old_to_new_state (block.symmetry.StateInfo attribute)
olsen_precondition() (in module pyblock.numerical.davidson)
one_dot (block.dmrg.SweepParams attribute)
OneDot (block.io.AlgorithmTypes attribute)
onedot (block.operator.Wavefunction attribute)
op (pyblock.qchem.operator.OpString attribute)
op_string (block.operator.OperatorArrayCre attribute)
(block.operator.OperatorArrayCreCre attribute)
(block.operator.OperatorArrayCreCreComp attribute)
(block.operator.OperatorArrayCreCreDesComp attribute)
(block.operator.OperatorArrayCreDes attribute)
(block.operator.OperatorArrayCreDesComp attribute)
(block.operator.OperatorArrayCreDesDesComp attribute)
(block.operator.OperatorArrayDes attribute)
(block.operator.OperatorArrayDesCre attribute)
(block.operator.OperatorArrayDesCreComp attribute)
(block.operator.OperatorArrayDesDes attribute)
(block.operator.OperatorArrayDesDesComp attribute)
(block.operator.OperatorArrayHamiltonian attribute)
(block.operator.OperatorArrayOverlap attribute)
OpCollection (class in pyblock.qchem.simplifier)
OpElement (class in pyblock.qchem.operator)
operator_element() (block.operator.StackSparseMatrix method)
operator_init() (pyblock.tensor.tensor.Tensor static method)
OperatorArrayBase (class in block.operator)
OperatorArrayCre (class in block.operator)
OperatorArrayCreCre (class in block.operator)
OperatorArrayCreCreComp (class in block.operator)
OperatorArrayCreCreDesComp (class in block.operator)
OperatorArrayCreDes (class in block.operator)
OperatorArrayCreDesComp (class in block.operator)
OperatorArrayCreDesDesComp (class in block.operator)
OperatorArrayDes (class in block.operator)
OperatorArrayDesCre (class in block.operator)
OperatorArrayDesCreComp (class in block.operator)
OperatorArrayDesDes (class in block.operator)
OperatorArrayDesDesComp (class in block.operator)
OperatorArrayHamiltonian (class in block.operator)
OperatorArrayOverlap (class in block.operator)
OperatorCre (class in block.operator)
OperatorCreCre (class in block.operator)
OperatorCreCreComp (class in block.operator)
OperatorCreCreDesComp (class in block.operator)
OperatorCreDes (class in block.operator)
OperatorCreDesComp (class in block.operator)
OperatorCreDesDesComp (class in block.operator)
OperatorDes (class in block.operator)
OperatorDesCre (class in block.operator)
OperatorDesCreComp (class in block.operator)
OperatorDesDes (class in block.operator)
OperatorDesDesComp (class in block.operator)
OperatorHamiltonian (class in block.operator)
OperatorOverlap (class in block.operator)
OperatorTensor (class in pyblock.qchem.mpo)
OpExpression (class in pyblock.qchem.operator)
OpLink (class in pyblock.qchem.simplifier)
OpNames (class in pyblock.qchem.operator)
ops (block.block.Block attribute)
(pyblock.qchem.operator.OpString attribute)
OpShell (class in pyblock.qchem.simplifier)
OpString (class in pyblock.qchem.operator)
OpSum (class in pyblock.qchem.operator)
OpTypes (class in block.operator)
output_level (block.io.Input attribute)
(pyblock.legacy.block_dmrg.DMRG attribute)
Overlap (block.operator.OpTypes attribute)
P
P (pyblock.qchem.operator.OpNames attribute)
parallelize() (pyblock.qchem.parallelizer.Parallelizer method)
Parallelizer (class in pyblock.qchem.parallelizer)
parallelizer (pyblock.qchem.core.BlockEvaluation attribute)
ParaOpCollection (class in pyblock.qchem.parallelizer)
ParaProperty (class in pyblock.qchem.parallelizer)
ParaRule (class in pyblock.qchem.parallelizer)
parse() (pyblock.qchem.operator.OpElement static method)
parse_site_index() (pyblock.qchem.operator.OpElement static method)
partial_trace() (pyblock.tensor.tensor.Tensor static method)
PartialSweep (block.io.AlgorithmTypes attribute)
ParticleN (class in pyblock.symmetry.symmetry)
PD (pyblock.qchem.operator.OpNames attribute)
PDM1 (pyblock.qchem.operator.OpNames attribute)
PDM1MPO (class in pyblock.qchem.npdm.mpo)
PDM1MPOInfo (class in pyblock.qchem.npdm.mpo)
PDM1Rules (class in pyblock.qchem.simplifier)
perturbative_noise() (pyblock.qchem.contractor.DMRGContractor method)
PGC1 (class in pyblock.symmetry.symmetry)
PGC2 (class in pyblock.symmetry.symmetry)
PGC2H (class in pyblock.symmetry.symmetry)
PGC2V (class in pyblock.symmetry.symmetry)
PGCI (class in pyblock.symmetry.symmetry)
PGCS (class in pyblock.symmetry.symmetry)
PGD2 (class in pyblock.symmetry.symmetry)
PGD2H (class in pyblock.symmetry.symmetry)
point_group (block.io.Global attribute)
point_group() (in module pyblock.symmetry.symmetry)
PointGroup (class in pyblock.symmetry.symmetry)
pop() (block.block.VectorBlock method)
(block.VectorBool method)
(block.VectorDouble method)
(block.VectorInt method)
(block.VectorMatrix method)
(block.VectorVectorInt method)
(block.VectorVectorMatrix method)
(block.operator.VectorCre method)
(block.operator.VectorCreCre method)
(block.operator.VectorCreCreComp method)
(block.operator.VectorCreCreDesComp method)
(block.operator.VectorCreDes method)
(block.operator.VectorCreDesComp method)
(block.operator.VectorCreDesDesComp method)
(block.operator.VectorDes method)
(block.operator.VectorDesCre method)
(block.operator.VectorDesCreComp method)
(block.operator.VectorDesDes method)
(block.operator.VectorDesDesComp method)
(block.operator.VectorHamiltonian method)
(block.operator.VectorNonZeroStackMatrix method)
(block.operator.VectorOperatorArrayBase method)
(block.operator.VectorOverlap method)
(block.operator.VectorStackSparseMatrix method)
(block.operator.VectorWavefunction method)
(block.symmetry.VectorSpinQuantum method)
(block.symmetry.VectorStateInfo method)
post_sweep() (pyblock.qchem.contractor.DMRGContractor method)
pprint() (in module pyblock.algorithm.compress)
(in module pyblock.algorithm.dmrg)
(in module pyblock.algorithm.expectation)
(in module pyblock.algorithm.time_evolution)
pre_sweep() (pyblock.qchem.contractor.DMRGContractor method)
precondition() (pyblock.numerical.davidson.Vector method)
(pyblock.qchem.contractor.BlockWavefunction method)
prepare_sweep() (pyblock.algorithm.dmrg.MovingEnvironment method)
print_operator_summary() (block.block.Block method)
ProdMPO (class in pyblock.qchem.mpo)
ProdMPOInfo (class in pyblock.qchem.mpo)
product() (in module block.rev)
pyblock.algorithm.compress (module)
pyblock.algorithm.dmrg (module)
pyblock.algorithm.expectation (module)
pyblock.algorithm.time_evolution (module)
pyblock.legacy.block_dmrg (module)
pyblock.numerical.davidson (module)
pyblock.numerical.expo (module)
pyblock.qchem.ancilla (module)
pyblock.qchem.ancilla.mpo (module)
pyblock.qchem.ancilla.mps (module)
pyblock.qchem.contractor (module)
pyblock.qchem.core (module)
pyblock.qchem.fcidump (module)
pyblock.qchem.mpo (module)
pyblock.qchem.mps (module)
pyblock.qchem.npdm (module)
pyblock.qchem.npdm.mpo (module)
pyblock.qchem.occupation (module)
pyblock.qchem.operator (module)
pyblock.qchem.parallelizer (module)
pyblock.qchem.simplifier (module)
pyblock.qchem.thermal (module)
pyblock.symmetry.basis (module)
pyblock.symmetry.cg (module)
pyblock.symmetry.symmetry (module)
pyblock.tensor.tensor (module)
Q
Q (pyblock.qchem.operator.OpNames attribute)
q_label (pyblock.qchem.operator.OpElement attribute)
quanta (block.symmetry.StateInfo attribute)
R
R (pyblock.qchem.operator.OpNames attribute)
random_choice() (in module pyblock.qchem.mps)
random_from_multi() (pyblock.symmetry.symmetry.SU2Proj static method)
randomize() (pyblock.qchem.mps.MPS method)
rank (pyblock.tensor.tensor.Tensor attribute)
rank2_init_target() (pyblock.tensor.tensor.Tensor static method)
rank3_init_left() (pyblock.tensor.tensor.Tensor static method)
rank3_init_right() (pyblock.tensor.tensor.Tensor static method)
RD (pyblock.qchem.operator.OpNames attribute)
read_fcidump() (in module pyblock.qchem.fcidump)
read_input() (in module block.io)
ref (block.DiagonalMatrix attribute)
(block.Matrix attribute)
(block.operator.StackMatrix attribute)
(block.operator.StackSparseMatrix attribute)
(pyblock.numerical.davidson.Vector attribute)
(pyblock.qchem.contractor.BlockWavefunction attribute)
release() (pyblock.qchem.contractor.DataPage method)
(pyblock.qchem.contractor.DMRGDataPage method)
release_data_pages() (in module block.data_page)
release_memory() (pyblock.qchem.core.BlockHamiltonian static method)
release_stack_memory() (in module block.io)
remove() (block.operator.VectorCre method)
(block.VectorBool method)
(block.VectorDouble method)
(block.VectorInt method)
(block.VectorMatrix method)
(block.VectorVectorInt method)
(block.VectorVectorMatrix method)
(block.operator.VectorCreCre method)
(block.operator.VectorCreCreComp method)
(block.operator.VectorCreCreDesComp method)
(block.operator.VectorCreDes method)
(block.operator.VectorCreDesComp method)
(block.operator.VectorCreDesDesComp method)
(block.operator.VectorDes method)
(block.operator.VectorDesCre method)
(block.operator.VectorDesCreComp method)
(block.operator.VectorDesDes method)
(block.operator.VectorDesDesComp method)
(block.operator.VectorHamiltonian method)
(block.operator.VectorOperatorArrayBase method)
(block.operator.VectorOverlap method)
(block.operator.VectorStackSparseMatrix method)
(block.symmetry.VectorSpinQuantum method)
(block.symmetry.VectorStateInfo method)
(pyblock.tensor.tensor.TensorNetwork method)
remove_additional_ops() (block.block.Block method)
remove_tags() (pyblock.tensor.tensor.TensorNetwork method)
renormalize_from() (block.block.Block method)
replace() (pyblock.tensor.tensor.TensorNetwork method)
reset() (block.io.CumulTimer method)
resize() (block.DiagonalMatrix method)
restore() (block.block.Block method)
right_block (block.block.Block attribute)
right_canonicalize() (pyblock.tensor.tensor.Tensor method)
right_contract() (pyblock.qchem.core.BlockEvaluation class method)
right_multiply() (pyblock.tensor.tensor.Tensor method)
right_rotate() (pyblock.qchem.core.BlockEvaluation class method)
right_state_info (block.symmetry.StateInfo attribute)
right_unmap_quanta (block.symmetry.StateInfo attribute)
rows (block.DiagonalMatrix attribute)
(block.Matrix attribute)
(block.operator.StackMatrix attribute)
(block.operator.StackSparseMatrix attribute)
Rule (class in pyblock.qchem.simplifier)
RuleSU2 (class in pyblock.qchem.simplifier)
RuleSU2.A (class in pyblock.qchem.simplifier)
RuleSU2.B (class in pyblock.qchem.simplifier)
RuleSU2.D (class in pyblock.qchem.simplifier)
RuleSU2.P (class in pyblock.qchem.simplifier)
RuleSU2.PDM1 (class in pyblock.qchem.simplifier)
RuleSU2.Q (class in pyblock.qchem.simplifier)
RuleSU2.R (class in pyblock.qchem.simplifier)
RuleSZ (class in pyblock.qchem.simplifier)
RuleSZ.A (class in pyblock.qchem.simplifier)
RuleSZ.B (class in pyblock.qchem.simplifier)
RuleSZ.D (class in pyblock.qchem.simplifier)
RuleSZ.P (class in pyblock.qchem.simplifier)
RuleSZ.PDM1 (class in pyblock.qchem.simplifier)
RuleSZ.Q (class in pyblock.qchem.simplifier)
RuleSZ.R (class in pyblock.qchem.simplifier)
S
s (block.symmetry.SpinQuantum attribute)
S (pyblock.qchem.operator.OpNames attribute)
save() (pyblock.qchem.contractor.DataPage method)
(pyblock.qchem.contractor.DMRGDataPage method)
save_data_page() (in module block.data_page)
save_rotation_matrix() (in module block)
save_state() (block.dmrg.SweepParams method)
save_wavefunction_info() (block.operator.Wavefunction method)
SD (pyblock.qchem.operator.OpNames attribute)
select() (pyblock.tensor.tensor.TensorNetwork method)
set_bond_dimension() (pyblock.qchem.mps.LineCoupling method)
(pyblock.qchem.occupation.Occupation method)
set_bond_dimension_using_occ() (pyblock.qchem.mps.LineCoupling method)
set_contractor() (pyblock.tensor.tensor.Tensor method)
(pyblock.tensor.tensor.TensorNetwork method)
set_current_memory() (pyblock.qchem.core.BlockHamiltonian static method)
set_current_stack_memory() (in module block.io)
set_data_page_pointer() (in module block.data_page)
set_energy() (pyblock.qchem.thermal.FreeEnergy method)
set_free_energy() (pyblock.qchem.thermal.FreeEnergy method)
set_left_state_info() (block.symmetry.StateInfo method)
set_mps() (pyblock.algorithm.compress.Compress method)
(pyblock.algorithm.dmrg.DMRG method)
(pyblock.algorithm.time_evolution.ExpoApply method)
set_particle_number() (pyblock.qchem.thermal.FreeEnergy method)
set_right_state_info() (block.symmetry.StateInfo method)
set_sweep_parameters() (block.dmrg.SweepParams method)
set_tags() (pyblock.tensor.tensor.Tensor method)
set_thermal_limit() (pyblock.qchem.ancilla.mps.AncillaLineCoupling method)
set_uncollected_state_info() (block.symmetry.StateInfo method)
shallow_copy() (block.operator.StackSparseMatrix method)
Simplifier (class in pyblock.qchem.simplifier)
simplifier (pyblock.qchem.core.BlockEvaluation attribute)
simplify() (pyblock.qchem.simplifier.NoSimplifier method)
(pyblock.qchem.simplifier.Simplifier method)
site_blocks (block.dmrg.MPS attribute)
site_index (pyblock.qchem.operator.OpElement attribute)
sites (block.block.Block attribute)
slater_size (block.io.Input attribute)
solve() (pyblock.algorithm.compress.Compress method)
(pyblock.algorithm.dmrg.DMRG method)
(pyblock.algorithm.expectation.Expect method)
(pyblock.algorithm.time_evolution.ExpoApply method)
sort() (pyblock.tensor.tensor.Tensor method)
spin_orbs_symmetry (block.io.Input attribute)
SpinQuantum (class in block.symmetry)
SpinSpace (class in block.symmetry)
split() (pyblock.tensor.tensor.Tensor method)
split_using_density_matrix() (pyblock.tensor.tensor.Tensor method)
sqrt_delta() (pyblock.symmetry.cg.SU2CG static method)
SqrtFact (pyblock.symmetry.cg.CG attribute)
SquareMPO (class in pyblock.qchem.mpo)
SquareMPOInfo (class in pyblock.qchem.mpo)
StackMatrix (class in block.operator)
StackSparseMatrix (class in block.operator)
StackTransposeView (class in block.operator)
start() (block.io.CumulTimer method)
(block.io.Timer method)
state_tensor_product() (in module block.symmetry)
state_tensor_product_target() (in module block.symmetry)
StateInfo (class in block.symmetry)
stdout_redirected() (in module pyblock.numerical.expo)
stop() (block.io.CumulTimer method)
StorageTypes (class in block.block)
store() (block.block.Block method)
strings (pyblock.qchem.operator.OpSum attribute)
SU2 (class in pyblock.symmetry.symmetry)
SU2CG (class in pyblock.symmetry.cg)
SU2Proj (class in pyblock.symmetry.symmetry)
sub_group() (pyblock.symmetry.symmetry.DirectProdGroup method)
SubTensor (class in pyblock.tensor.tensor)
svd() (pyblock.tensor.tensor.Tensor method)
sweep() (pyblock.algorithm.compress.Compress method)
(pyblock.algorithm.dmrg.DMRG method)
(pyblock.algorithm.time_evolution.ExpoApply method)
sweep_iter (block.dmrg.SweepParams attribute)
sweep_params (pyblock.legacy.block_dmrg.DMRG attribute)
sweep_tol (block.io.Input attribute)
SweepParams (class in block.dmrg)
symm (block.symmetry.SpinQuantum attribute)
symm_scale (block.operator.StackSparseMatrix attribute)
sys_add (block.dmrg.SweepParams attribute)
system (pyblock.legacy.block_dmrg.DMRG attribute)
SZ (class in pyblock.symmetry.symmetry)
T
T (pyblock.tensor.tensor.SubTensor attribute)
Table (pyblock.symmetry.symmetry.PGC1 attribute)
(pyblock.symmetry.symmetry.PGC2V attribute)
(pyblock.symmetry.symmetry.PGCI attribute)
(pyblock.symmetry.symmetry.PGD2H attribute)
(pyblock.symmetry.symmetry.PointGroup attribute)
tags (pyblock.tensor.tensor.TensorNetwork attribute)
TEError
Tensor (class in pyblock.tensor.tensor)
tensor_dot_product() (in module block.rev)
tensor_precondition() (in module block.rev)
tensor_product() (in module block.rev)
(pyblock.qchem.mps.LineCoupling method)
(pyblock.qchem.occupation.Occupation method)
tensor_product_diagonal() (in module block.rev)
tensor_product_multiply() (in module block.rev)
tensor_rotate() (in module block.rev)
(pyblock.qchem.core.BlockEvaluation class method)
tensor_scale() (in module block.rev)
tensor_scale_add() (in module block.rev)
tensor_scale_add_no_trans() (in module block.rev)
tensor_trace() (in module block.rev)
tensor_trace_diagonal() (in module block.rev)
tensor_trace_multiply() (in module block.rev)
TensorNetwork (class in pyblock.tensor.tensor)
TensorNetworkError
Timer (class in block.io)
timer_guessgen (block.io.Input attribute)
timer_multiplier (block.io.Input attribute)
timer_operrot (block.io.Input attribute)
TInt (class in pyblock.qchem.fcidump)
to_dict() (pyblock.tensor.tensor.Tensor method)
to_multi() (pyblock.symmetry.symmetry.SU2 method)
(pyblock.symmetry.symmetry.SU2Proj method)
to_spin_quantum() (pyblock.qchem.core.BlockSymmetry class method)
to_state_info() (pyblock.qchem.core.BlockSymmetry class method)
total_memory (block.operator.StackSparseMatrix attribute)
Transform (block.block.GuessWaveTypes attribute)
transform_operators() (block.block.Block method)
transform_operators_2() (block.block.Block method)
Transpose (block.block.GuessWaveTypes attribute)
transpose() (block.operator.StackSparseMatrix method)
TwoDot (block.io.AlgorithmTypes attribute)
twodot_to_onedot_iter (block.io.Input attribute)
TwoDotToOneDot (block.io.AlgorithmTypes attribute)
U
uncollected_state_info (block.symmetry.StateInfo attribute)
unfuse_index() (pyblock.tensor.tensor.Tensor method)
unfuse_left() (pyblock.qchem.contractor.DMRGContractor method)
unfuse_right() (pyblock.qchem.contractor.DMRGContractor method)
unload() (pyblock.qchem.contractor.DataPage method)
(pyblock.qchem.contractor.DMRGDataPage method)
update_line_coupling() (pyblock.qchem.mps.MPS method)
update_local_left_block_basis() (pyblock.qchem.mps.MPSInfo method)
update_local_left_mps_info() (pyblock.qchem.contractor.DMRGContractor method)
update_local_left_state_info() (pyblock.qchem.mps.MPSInfo method)
update_local_right_block_basis() (pyblock.qchem.mps.MPSInfo method)
update_local_right_mps_info() (pyblock.qchem.contractor.DMRGContractor method)
update_local_right_state_info() (pyblock.qchem.mps.MPSInfo method)
update_one_dot() (pyblock.algorithm.compress.Compress method)
(pyblock.algorithm.dmrg.DMRG method)
(pyblock.algorithm.expectation.Expect method)
(pyblock.algorithm.time_evolution.ExpoApply method)
update_two_dot() (pyblock.algorithm.compress.Compress method)
(pyblock.algorithm.dmrg.DMRG method)
(pyblock.algorithm.expectation.Expect method)
(pyblock.algorithm.time_evolution.ExpoApply method)
UVInt (class in pyblock.qchem.fcidump)
V
Vector (class in pyblock.numerical.davidson)
VectorBlock (class in block.block)
VectorBool (class in block)
VectorCre (class in block.operator)
VectorCreCre (class in block.operator)
VectorCreCreComp (class in block.operator)
VectorCreCreDesComp (class in block.operator)
VectorCreDes (class in block.operator)
VectorCreDesComp (class in block.operator)
VectorCreDesDesComp (class in block.operator)
VectorDes (class in block.operator)
VectorDesCre (class in block.operator)
VectorDesCreComp (class in block.operator)
VectorDesDes (class in block.operator)
VectorDesDesComp (class in block.operator)
VectorDouble (class in block)
VectorHamiltonian (class in block.operator)
VectorInt (class in block)
VectorMatrix (class in block)
VectorNonZeroStackMatrix (class in block.operator)
VectorOperatorArrayBase (class in block.operator)
VectorOverlap (class in block.operator)
VectorSpinQuantum (class in block.symmetry)
VectorStackSparseMatrix (class in block.operator)
VectorStateInfo (class in block.symmetry)
VectorVectorInt (class in block)
VectorVectorMatrix (class in block)
VectorWavefunction (class in block.operator)
VInt (class in pyblock.qchem.fcidump)
W
Wavefunction (class in block.operator)
wigner_3j() (pyblock.symmetry.cg.SU2CG static method)
wigner_9j() (in module block.symmetry)
write_fcidump() (in module pyblock.qchem.fcidump)
write_to_disk() (block.dmrg.MPS method)
Z
zero_copy() (pyblock.qchem.mps.MPS method)
(pyblock.tensor.tensor.Tensor method)
(pyblock.tensor.tensor.TensorNetwork method)
Read the Docs
v: latest
Versions
latest
Downloads
pdf
html
epub
On Read the Docs
Project Home
Builds
Free document hosting provided by
Read the Docs
.