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Advanced DQMC features including unequal-time measurements, analytic continuation, and queue system internals. Use when enabling dynamical correlations, performing MaxEnt continuation, or understanding HDF5 data structure.
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| name | dqmc-advanced |
| description | Advanced DQMC features including unequal-time measurements, analytic continuation, and queue system internals. Use when enabling dynamical correlations, performing MaxEnt continuation, or understanding HDF5 data structure. |
Enable by setting period_uneqlt > 0 during file generation:
dqmc-util gen period_uneqlt=8 ...
Required for:
nnrw0, zzrw0 - Zero-frequency susceptibilitiesdwq0t - D-wave pair susceptibilityNote: Unequal-time measurements significantly increase runtime and memory usage.
Use maximum entropy for continuing imaginary-time data to real frequencies:
from dqmc_util import maxent
# Solve G = K A given:
# - G: binned data, shape (nbin, ntau)
# - K: kernel, shape (ntau, nw)
# - m: default model, shape (nw,)
A_omega = maxent.calc_A(G, K, m)
/metadata/ # Model info (mu, Nx, Ny, beta)
/params/ # Simulation parameters, precomputed matrices
/state/ # RNG state, sweep number, aux field config
/meas_eqlt/ # Equal-time measurements (n_sample, sign, den, ...)
/meas_uneqlt/ # Unequal-time measurements (optional)
The sharded queue uses:
rename() operations for task claimingtodo/ -> running/ -> done/todo/ for resumptionExtract physical observables with error estimates from completed DQMC simulations. Use when computing density, double occupancy, spin correlations, structure factors, or any measured quantity from simulation data.
Workflow for modifying DQMC C code, adding new measurements, and running tests. Use when editing source code, implementing new observables, debugging, or validating code changes.
Create HDF5 simulation files for DQMC with specified physical parameters. Use when setting up new simulations, specifying lattice size, interaction strength U, chemical potential mu, temperature (via dt and L), or number of Monte Carlo sweeps.
Set up systematic DQMC parameter studies across temperature, interaction strength U, or chemical potential mu. Use when doing temperature sweeps, phase diagram calculations, or any grid of simulations.
Execute DQMC Monte Carlo sweeps on HDF5 simulation files. Use when running simulations, checkpointing long runs, using the queue system for multiple files, or checking simulation status.