pySpMAC

pyspmac

usage

Python 3.8 or higher is required.

# install pyspmac
python3 -m pip install .

# run a sample
cd sample/multiple
spmac input.toml

parameters

The names of parameters are case-insensitive.

• output: str
  • Output directory name (default: output)
• num_flavor: int
  • Number of flavors (orbitals)
• filein_g: str
  • Filename storing G(τ)
  • When num_flavor > 1, "{filein_g}.{a}{b}" are read for G{ab}, where a,b = 0,1,...,num_flavor-1
• column: int
  • Index of column storing Re G(τ) (0-origin)
• column_imag: int (optional)
  • Index of column storing Im G(τ) (0-origin)
  • If omitted, Im G(τ) is treated as 0 (real input, backward compatible)
• beta: float
  • Inverse temperature β
• max_omega: float
  • Upper bound of ω
• min_omega: float
  • Lower bound of ω
• num_omega: int
  • Number of ωs
• nonnegative: bool
  • Impose non-negativity (single flavor) or semi-positive definiteness (multiple flavor) (default:true)
• sumrule: bool
  • Impose sum-rule (default: true)
• min_sv: float
  • Cutoff in singular value (default: 1e-10)
• max_iteration: int
  • Maximum number of iterations of ADMM (default: 1000)
• optimize: bool
  • Optimize λ by the elbow method (default: false)
• max_loglambda: float
  • Maximum value of log10(λ)
  • If optimize
• min_loglambda: float
  • Minimum value of log10(λ)
  • If optimize
• loglambda: float
  • log10(λ)
  • If not optimize

small test

Run pytest at the root directory:

python3 -m pytest

Authors

• Yuichi Motoyama
• Hiroshi Shinaoka

Paper

• Sparse Modeling Analytic Continuation
  • Junya Otsuki, Masayuki Ohzeki, Hiroshi Shinaoka, and Kazuyoshi Yoshimi, "Sparse modeling approach to analytical continuation of imaginary-time quantum Monte Carlo data", Phys. Rev. E 95, 061302(R).
• SpM AC + Pade approximation
  • Yuichi Motoyama, Kazuyoshi Yoshimi, and Junya Otsuki, "Robust analytic continuation combining the advantages of the sparse modeling approach and the Padé approximation", Phys. Rev. B 105, 035139.
• SpM AC for multi-orbital data
  • Yuichi Motoyama, Hiroshi Shinaoka, Junya Otsuki, and Kazuyoshi Yoshimi, "Robust analytic continuation using sparse modeling approach imposed by semi-positive definiteness for multi-orbital systems", arXiv:2409.01509.

License

PySpMAC is distributed under the Mozilla Public License 2.0