GASFIR

Installation

  • Installation
    • Dependencies
    • Installation Methods
      • Using pip
      • Using conda (recommended for development)
      • From source
    • Verification
    • Troubleshooting

User Guide

  • Getting Started
    • Installation
    • Package layout
    • Basic Workflow
    • Ionization Rate Models
    • Available Parameter Sets
    • NIST Ionization Potentials
    • Batch Processing
    • Parameter Fitting & Retrieval (gasfir[retrieval])
  • Laser Fields
    • Creating a Pulse
    • Constructing Directly
    • Accessing Field Properties
    • Units
    • Pump–probe delay scanning — TIPTOE
    • Numerical / data-driven pulses
  • Ionization Calculations
    • Non-Adiabatic Ionization Probability
    • Time-Resolved Rate
    • Quasi-Static Limit
    • Batch Processing
    • Numerical / DataPulse Fields
  • Parameters
    • Built-in Parameter Sets
    • Parameter Descriptions
    • Adding Custom Parameters
  • Examples Overview
    • Minimal end-to-end calculation
    • cos8 pulse (the default envelope)
    • Two-colour field with SumOfPulses
    • Pump–probe scan with TIPTOE (H_diabatic)
    • Numerical field with DataPulse
    • Retrieval strategies and pipelines (gasfir[retrieval])

API Reference

  • gasfir — public API
    • Ionization calculations
      • get_diabatic_ionization_probability()
      • get_diabatic_ionization_rate()
      • get_diabatic_ionization_probability_vec()
      • get_probability_quasi_static_limit()
      • get_rate_quasi_static_limit()
      • get_quasi_static_rate_for_field()
      • precompute_pulse_batch()
    • Pulse creation
      • create_pulse()
      • OptCyc_au()
      • ret_pulse_from_pandas_table()
    • Parameters
      • get_parameters()
      • get_ionization_potential()
    • Classes
      • Pulse
        • Pulse.get_average_initial_KE_energy()
        • Pulse.get_central_wavelength()
        • Pulse.get_cummulative_electric_field_squared()
        • Pulse.get_cummulative_vector_potential()
        • Pulse.get_cummulative_vector_potential_squared()
        • Pulse.get_electric_field()
        • Pulse.get_fft()
        • Pulse.get_intensity()
        • Pulse.get_keldysh_parameter()
        • Pulse.get_max_field_strength()
        • Pulse.get_max_initial_KE_energy()
        • Pulse.get_ponderomotive_energy()
        • Pulse.get_tgrid()
        • Pulse.get_time_interval()
        • Pulse.get_total_energy()
        • Pulse.get_vector_potential()
        • Pulse.get_w0()
        • Pulse.get_w_max()
      • CosNPulse
        • CosNPulse.get_time_interval()
        • CosNPulse.get_w0()
      • DataPulse
        • DataPulse.get_time_interval()
        • DataPulse.get_w0()
      • TIPTOE
        • TIPTOE.at_delay()
        • TIPTOE.return_delay_array()
      • EllipticalCosNPulse
        • EllipticalCosNPulse.get_cummulative_vector_potential_tuple()
        • EllipticalCosNPulse.get_electric_field_tuple()
        • EllipticalCosNPulse.get_vector_potential_tuple()
  • gasfir.pulse — pulse classes
    • Pulse
      • Pulse.get_average_initial_KE_energy()
      • Pulse.get_central_wavelength()
      • Pulse.get_cummulative_electric_field_squared()
      • Pulse.get_cummulative_vector_potential()
      • Pulse.get_cummulative_vector_potential_squared()
      • Pulse.get_electric_field()
      • Pulse.get_fft()
      • Pulse.get_intensity()
      • Pulse.get_keldysh_parameter()
      • Pulse.get_max_field_strength()
      • Pulse.get_max_initial_KE_energy()
      • Pulse.get_ponderomotive_energy()
      • Pulse.get_tgrid()
      • Pulse.get_time_interval()
      • Pulse.get_total_energy()
      • Pulse.get_vector_potential()
      • Pulse.get_w0()
      • Pulse.get_w_max()
    • CosNPulse
      • CosNPulse.get_time_interval()
      • CosNPulse.get_w0()
    • EllipticalCosNPulse
      • EllipticalCosNPulse.get_cummulative_vector_potential_tuple()
      • EllipticalCosNPulse.get_electric_field_tuple()
      • EllipticalCosNPulse.get_vector_potential_tuple()
    • DataPulse
      • DataPulse.get_time_interval()
      • DataPulse.get_w0()
    • TIPTOE
      • TIPTOE.at_delay()
      • TIPTOE.return_delay_array()
  • gasfir.kernels — kernel internals
    • Linear polarisation
      • get_diabatic_ionization_probability()
      • get_diabatic_ionization_rate()
      • get_probability_quasi_static_limit()
      • get_quasi_static_rate_for_field()
      • get_rate_quasi_static_limit()
      • precompute_pulse_batch()
    • Elliptical / circular polarisation
      • get_diabatic_ionization_probability()
      • get_diabatic_ionization_rate()
      • get_probability_quasi_static_limit()
      • get_quasi_static_rate_for_field()
      • get_rate_quasi_static_limit()
  • gasfir.utils — unit conversion
    • AtomicUnits
      • AtomicUnits.meter
      • AtomicUnits.nm
      • AtomicUnits.angstrom
      • AtomicUnits.second
      • AtomicUnits.fs
      • AtomicUnits.Joule
      • AtomicUnits.eV
      • AtomicUnits.Volts_per_meter
      • AtomicUnits.Volts_per_Angstrom
      • AtomicUnits.speed_of_light
      • AtomicUnits.Coulomb
      • AtomicUnits.PW_per_cm2_au
  • gasfir.fitting and gasfir.retrieval
    • gasfir.retrieval — automated pipeline
      • retrieve()
      • RetrievalConfig
      • RetrievalResult
        • RetrievalResult.params
        • RetrievalResult.var_names
        • RetrievalResult.chisqr
        • RetrievalResult.redchi
        • RetrievalResult.ndata
        • RetrievalResult.nvarys
        • RetrievalResult.covar
        • RetrievalResult.flat_samples
        • RetrievalResult.lnprob
        • RetrievalResult.val_stats
        • RetrievalResult.de_result
        • RetrievalResult.ls_result
        • RetrievalResult.method
      • Individual phases
        • run_global_search()
        • run_local_polish()
        • run_mcmc()
      • Output & reporting
        • generate_publication_corner()
        • generate_trace_plot()
        • generate_latex_summary()
        • compare_to_stored()
      • Post-processing
        • post_process_mcmc()
        • save_result()
        • load_result()
    • gasfir.fitting — low-level residual functions
      • residual_P()
      • residual_QS()
      • get_residuals_concat_QS_NA()
  • gasfir._parameter_store
    • get_parameters()
    • return_parameter_table()

Examples

  • Basic Usage
    • Ionization Probability for Hydrogen
    • Time-Resolved Rate
    • Quasi-Static Rates
  • Advanced Usage
    • Batch Processing over Multiple Intensities
    • Elliptical Polarization
    • DataFrame-based Workflow
  • Parameter Fitting
    • Automated Pipeline (recommended)
    • RetrievalConfig key options
    • Post-processing an existing chain
    • Simultaneous Fit to QS and Non-Adiabatic Data
    • Low-level: residual function + manual lmfit
    • Uncertainty Quantification with emcee
  • Performance Optimization
    • Numba JIT Compilation
    • Pulse Result Caching
    • Batch Pre-Computation
    • Choosing dt and dT

Development

  • Contributing
    • Workflow
    • Code Style
    • Commit Messages
  • Testing
    • Running the Test Suite
    • Test Structure
    • CI Coverage
  • Releasing
    • Version Numbering
    • Release Process
    • CI Publishing Rules
    • Verifying the TestPyPI Release
GASFIR
  • Overview: module code

All modules for which code is available

  • gasfir._atomic_data
  • gasfir._parameter_store
  • gasfir.fitting
  • gasfir.kernels
  • gasfir.kernels_circ
  • gasfir.pulse
  • gasfir.retrieval
  • gasfir.utils

© Copyright 2024, Manoram Agarwal.

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