| h_int |
Operator |
– |
Interacting part of the atomic Hamiltonian |
| n_cycles |
int |
– |
Number of QMC cycles |
| partition_method |
str |
“autopartition” |
Partition method |
| quantum_numbers |
list(Operator) |
[] |
Quantum numbers |
| length_cycle |
int |
50 |
Length of a single QMC cycle |
| n_warmup_cycles |
int |
5000 |
Number of cycles for thermalization |
| random_seed |
int |
34788 + 928374 * MPI.rank |
Seed for random number generator |
| random_name |
str |
“” |
Name of random number generator |
| max_time |
int |
-1 = infinite |
Maximum runtime in seconds, use -1 to set infinite |
| verbosity |
int |
3 on MPI rank 0, 0 otherwise. |
Verbosity level |
| move_shift |
bool |
true |
Add shifting an operator as a move? |
| move_double |
bool |
false |
Add double insertions as a move? |
| use_trace_estimator |
bool |
false |
Calculate the full trace or use an estimate? |
| measure_g_tau |
bool |
true |
Measure G(tau)? |
| measure_g_l |
bool |
false |
Measure G_l (Legendre)? |
| measure_pert_order |
bool |
false |
Measure perturbation order? |
| measure_density_matrix |
bool |
false |
Measure the reduced impurity density matrix? |
| use_norm_as_weight |
bool |
false |
Use the norm of the density matrix in the weight if true, otherwise use Trace |
| performance_analysis |
bool |
false |
Analyse performance of trace computation with histograms (developers only)? |
| proposal_prob |
dict(str:float) |
{} |
Operator insertion/removal probabilities for different blocks |
| move_global |
dict(str : dict(indices : indices)) |
{} |
List of global moves (with their names). Each move is specified with an index substitution dictionary. |
| move_global_prob |
double |
0.05 |
Overall probability of the global moves |
| imag_threshold |
double |
1.e-15 |
Threshold below which imaginary components of Delta and h_loc are set to zero |