dahbiz/tdsez

How dahbiz/tdsez works

TDSE-Z is a parallel B-spline solver for bound-state spectra and time-dependent quantum dynamics. The principal workflow takes an input deck through parsing and validation, constructs the spatial discretisation and operators, solves for bound states, and optionally propagates a wavefunction while recording observables and output. Separate branches cover restart/checkpointing, t-SURFF spectra, diagnostics, and post-processing. The README documents the broad workflow; source excerpts show selected operator, monitor, and propagation links, so unsampled implementation connections are omitted.

Main entry points: tdsez.cpp Solver Entry · propagator.cpp Time Propagators · core.cpp B-Spline Core · assembly.cpp Operator Assembly

Components 26

Input and Setup

Input Deck
Input Parsing src/parser.cpp
Input Validation src/parser_validation.cpp
Solver Entry src/tdsez.cpp

Physics and Solvers

Knot Sequences src/core_knots.cpp
B-Spline Core src/core.cpp
Operator Assembly src/assembly/assembly.cpp
Sum-Factored Kernels src/assembly/sumfact.cpp
Banded Insertion src/assembly/band.cpp
Operator Manager src/manager.cpp
Tensor Operators src/tensorops.cpp

Propagation and Observables

Time Propagators src/propagator.cpp
B-Spline Multigrid src/multigrid.cpp
Observable Monitor src/monitor.cpp
Quadrature Observables src/quadobs.cpp
Checkpoint Restart src/checkpoint.cpp
t-SURFF Spectra src/tsurff.cpp

Results and Analysis

HDF5 Results
Diagnostics src/diagnostics.cpp
Dipole Analysis src/dipoles.cpp
Dipole Spectrum src/dipole_spectrum.cpp
Recombination Analysis src/recombination.cpp

Other components

User
PETSc / MPI
SLEPc
PetIGA

Connections 27

User → Input Deck: configures
Input Deck → Solver Entry: starts run
Solver Entry → Input Parsing: reads input
Input Parsing → Input Validation: validates
Solver Entry → B-Spline Core: builds solver
B-Spline Core → Knot Sequences: uses knots
B-Spline Core → Operator Assembly: assembles operators
Operator Assembly → Sum-Factored Kernels: uses kernels src/assembly/assembly.cpp
Operator Assembly → Banded Insertion: inserts matrices src/assembly/assembly.cpp
Solver Entry → Operator Manager: sets up run
Operator Manager → Tensor Operators: sets up operators src/manager.cpp
Solver Entry → Time Propagators: starts propagation
Time Propagators → B-Spline Multigrid: uses preconditioner src/propagator.cpp
Time Propagators → Observable Monitor: records steps
Observable Monitor → Quadrature Observables: evaluates expectations
Observable Monitor → t-SURFF Spectra: samples flux src/monitor.cpp
Time Propagators → Checkpoint Restart: writes restart state src/propagator.cpp
Observable Monitor → HDF5 Results: writes observables
Checkpoint Restart → HDF5 Results: stores checkpoints
t-SURFF Spectra → HDF5 Results: writes spectra
B-Spline Core → SLEPc: solves eigenproblem
Operator Assembly → PetIGA: uses B-splines
Time Propagators → PETSc / MPI: uses parallel solvers
Diagnostics → HDF5 Results: writes results
Dipole Analysis → HDF5 Results: reads results
Dipole Spectrum → HDF5 Results: reads results
Recombination Analysis → HDF5 Results: reads results

Drawn by GitDiagram on November 13, 2026 from the repository's file tree, README and source files. Read as Markdown ·