skillby edwnh
dqmc-advanced
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.
Installs: 0
Used in: 1 repos
Updated: 1w ago
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npx ai-builder add skill edwnh/dqmc-advancedInstalls to .claude/skills/dqmc-advanced/
# Advanced Topics ## Unequal-Time Measurements Enable by setting `period_uneqlt > 0` during file generation: ```bash dqmc-util gen period_uneqlt=8 ... ``` Required for: - `nnrw0`, `zzrw0` - Zero-frequency susceptibilities - `dwq0t` - D-wave pair susceptibility - Any time-dependent correlation functions **Note:** Unequal-time measurements significantly increase runtime and memory usage. ## Analytic Continuation Use maximum entropy for continuing imaginary-time data to real frequencies: ```python 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) ``` ## HDF5 File Structure ``` /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) ``` ## Queue System Internals The sharded queue uses: - 128 shards to avoid lock contention on distributed filesystems - Atomic `rename()` operations for task claiming - Symlinks moved: `todo/` -> `running/` -> `done/` - Checkpointed jobs returned to `todo/` for resumption
Quick Install
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npx ai-builder add skill edwnh/dqmc-advancedDetails
- Type
- skill
- Author
- edwnh
- Slug
- edwnh/dqmc-advanced
- Created
- 1w ago