Published September 22, 2023
| Version v1
Dataset
Open
RMT repository test data
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 |
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md5:f5aeb8b120ad60b10406a9b8b0b909d4
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480.8 MB | Download |
md5:15a311e9edb2d3bcf29f83c66ad66c57
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24.7 MB | Download |
md5:9f4b29793afa80a2cf24be601ef39b5d
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10.9 MB | Download |
md5:610fee84743406fce139104533b60de9
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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