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Published September 22, 2023 | Version v1
Dataset Open

RMT repository test data

  • 1. Queen's University Belfast

Description

This data set contains all of the test data which was previously housed in the R-matrix with time-dependence (RMT) repository at https://gitlab.com/Uk-amor/RMT/rmt

There are four separate directories: atomic_big, atomic_small and molecular_tests contain sample inputs and outputs for rmt calculations. field_tests contains inputs and outputs for the field_check utility. 

Each test calculation contains an inputs and rmt_output directory. Calculations were performed with RMT compiled with the gnu compiler running on the ARCHER2 supercomputer.

Files

Files (543.3 MB)

Name Size Download all
md5:f5aeb8b120ad60b10406a9b8b0b909d4
480.8 MB Download
md5:15a311e9edb2d3bcf29f83c66ad66c57
24.7 MB Download
md5:9f4b29793afa80a2cf24be601ef39b5d
10.9 MB Download
md5:610fee84743406fce139104533b60de9
26.9 MB Download

Additional details

Funding

AQuA DIP: Advanced Quantum Approaches to Double Ionisation Processes EP/T019530/1
UK Research and Innovation
PARAMOR- Platform And Resource for Atomic, Molecular and Optical Research EP/V05208X/1
UK Research and Innovation
R-matrix suites for multielectron attosecond dynamics in atoms and molecules irradiated by arbitrarily polarised light EP/P022146/1
UK Research and Innovation
Armoured: Atomic R-matrix Method For Relativistic Dynamics EP/P013953/1
UK Research and Innovation