Skip to content

A simple interface for simulating inelastic neutron spectra of phonons using Horace and Euphonic.

License

Notifications You must be signed in to change notification settings

pace-neutrons/euphonic_sqw_models

Repository files navigation

euphonic_sqw_models

A driver for the Horace inelastic neutron scattering (INS) data analysis package to generate model INS spectra using the Euphonic package.

This is a pure Python package and is meant to be used in conjunction with the horace-euphonic-interface Matlab package (because Horace is a Matlab program).

Documentation for the Matlab code.

For developers

Test Data

The test data for both this repository and horace-euphonic-interface is stored here, (since this repo is included as a submodule in horace-euphonic-interface) but in Matlab .mat file format. This means that Matlab should be used to generate it if it becomes outdated. Use runtests('test/EuphonicGenerateTestData.m') in the horace-euphonic-interface folder. (You may also have to set generate_test_data to true in that file. Then copy the *.mat files from test/expected_output to the same folder in this repository and commit.

Euphonic version

The minimum Euphonic version is set in the min_requirements.txt file. This information will be inherited by horace-euphonic-interface.

About

A simple interface for simulating inelastic neutron spectra of phonons using Horace and Euphonic.

Resources

License

Stars

Watchers

Forks

Packages

No packages published

Languages