Software for triple-axis spectroscopy
24 packages for planning, analysis, modelling, simulation and control.
Software used around triple-axis experiments, from planning a scan to modelling the result. "TAS-specific" says how directly a package targets triple-axis work; general frameworks such as Mantid are included because they are used with TAS data. Listing here is not an endorsement. To add or correct an entry, contact the Outreach team lead (see contacts). The NCNR's own browser tools are on the NCNR tools page.
Experiment planningData reduction and analysisModelling and interpretationInstrument simulation and ray tracingInstrument control and data acquisition
Experiment planning, resolution and visualization
| Package | What it does | Language | Platforms | TAS-specific? | Open source? | Notes |
|---|---|---|---|---|---|---|
| Takin | Triple-axis experiment planning, reciprocal-space visualization, scan simulation, dispersion overlays, resolution calculations | C++/Qt | Windows; Linux; macOS | High (direct TAS software) | Yes | One of the best-known dedicated TAS tools |
| vTAS | Virtual TAS planning, reciprocal-space access checks, geometry/scattering-condition visualization | Web-based | Web browser (platform independent) | High (direct TAS planning) | Not stated | Useful for planning TAS measurements before beam time |
| ResLib | TAS resolution-function calculations and fitting support | MATLAB | Where MATLAB runs | High (direct TAS software) | Academic distribution | Widely cited for TAS resolution calculations |
| NeutronPy | Neutron-scattering calculations including TAS geometry and resolution utilities | Python | Windows; Linux; macOS | Medium (supports TAS, not TAS-only) | Yes | Python toolkit for scattering calculations |
Data reduction and analysis
| Package | What it does | Language | Platforms | TAS-specific? | Open source? | Notes |
|---|---|---|---|---|---|---|
| TAVI | Triple-axis data visualization, reduction and analysis | Python | Windows; Linux; macOS | High (direct TAS software) | Yes | Directly aimed at TAS data workflows |
| PyMACS | Analysis and workflow tools for the MACS multiplexed cold triple-axis spectrometer | Python | Windows; Linux; macOS | High for MACS; medium for general TAS | Yes | Most relevant for MACS users |
| DAVE | Neutron experiment planning, data analysis and fitting, including spectroscopy and TAS-style workflows | IDL | Windows | Medium (used with TAS, not TAS-only) | No / limited | Historically important in neutron spectroscopy |
| Mantid | General neutron and muon data reduction, analysis, fitting and visualization | C++/Python | Windows; Linux; macOS | Low to medium (adaptable) | Yes | Broad framework rather than a dedicated TAS package |
| LAMP | General neutron data analysis environment | Facility software | Windows; Linux | Low to medium | Facility analysis package | |
| Mag2Pol | Polarized-neutron scattering analysis: flipping ratios, polarization matrices, magnetic structure factors, spherical neutron polarimetry | Python | Windows; Linux; macOS | Medium to high for polarized TAS | Important for polarized TAS and neutron polarimetry | |
| FullProf | Nuclear and magnetic structure refinement; often used with polarized-neutron and TAS studies | Fortran | Windows; Linux; macOS | Low to medium (relevant for TAS interpretation) | Free academic distribution | Commonly used for magnetic refinement |
Modelling and interpretation (spin waves, phonons, crystal fields)
| Package | What it does | Language | Platforms | TAS-specific? | Open source? | Notes |
|---|---|---|---|---|---|---|
| SpinW | Spin-wave calculations, magnetic Hamiltonian modelling, neutron-scattering cross sections | MATLAB (Python port pySpinW) | Where MATLAB runs | Low to medium (used heavily with TAS data interpretation) | Yes | Very common for magnetic excitation modelling |
| Sunny | Magnetic dynamics and neutron-scattering simulation | Julia | Windows; Linux; macOS | Low to medium (used with TAS interpretation) | Yes | Modern modelling framework |
| McPhase | Crystal-field, magnetic structure and excitation modelling | C++ | Windows; Linux | Low to medium | Yes / academic | Useful for rare-earth and magnetic excitation studies |
| Euphonic | Phonon spectra and neutron-scattering intensities from force constants | Python | Windows; Linux; macOS | Low to medium (TAS phonon interpretation) | Yes | Interpretation-focused |
| PyCrystalField | Crystal electric field (CEF) calculations and neutron-scattering modelling for rare-earth systems | Python | Windows; Linux; macOS | Low to medium (TAS data interpretation) | Yes | Relevant for fitting crystal-field excitations measured on TAS |
Instrument simulation and ray tracing
| Package | What it does | Language | Platforms | TAS-specific? | Open source? | Notes |
|---|---|---|---|---|---|---|
| RESTRAX | Ray tracing and resolution analysis for triple-axis spectrometers | C++ | Windows; Linux | High (direct TAS software) | Not stated | Focused on TAS ray tracing and resolution |
| McStas | Monte Carlo neutron ray tracing for instrument and beamline simulation | Generated C core with Python tools | Windows; Linux; macOS | Medium (widely used for TAS design) | Yes | Very important for beamline and component optimization |
| VITESS | Virtual neutron experiments and instrument simulation | C++ | Windows; Linux | Medium (useful for TAS beamlines) | Free scientific software | Alternative major neutron simulation package |
Instrument control and data acquisition
| Package | What it does | Language | Platforms | TAS-specific? | Open source? | Notes |
|---|---|---|---|---|---|---|
| NICOS | Instrument control, scan scripting, user interface, experiment execution | Python | Linux; Windows clients | Medium (usable for TAS control) | Yes | Strong on beamline operation and scripting |
| SICS | Instrument control system for scan-based neutron instruments | Java/Tcl/mixed | Linux; Windows | Medium | Yes | Control layer rather than analysis software |
| SPEC | Commercial scan control, motor control, detector readout, data acquisition | C with macro language | Linux; Unix-like | Medium (often used for TAS-style scans) | No (commercial) | Common in synchrotron and neutron instrument control |
| SPICE | User interface and control/data-acquisition software for scan-based spectrometers at ORNL | Mixed (Java-based client-server) | Windows; Linux | Medium (used with TAS-capable instruments) | Not stated | ORNL beamline operation workflows |
| EPICS | General scientific instrument control framework | C/C++ with scripting ecosystem | Linux; Windows; macOS | Low to medium (infrastructure) | Yes | Often part of the underlying beamline control stack |
Source: TAS_Software survey_SC.xlsx (Songxue Chi, Oct 2026), International TAS Working Group, Outreach focus team