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ISISNeutronMuon / MDANSE

MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments
https://www.isis.stfc.ac.uk/Pages/MDANSEproject.aspx
GNU General Public License v3.0
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Scattering correlation update 2 #467

Closed ChiCheng45 closed 2 weeks ago

ChiCheng45 commented 2 weeks ago

Description of work Updated DCSF to use correlation frames following #435.

DCSF with DLPOLY water trajectory and SphericalQVectors Before image

After image

Fixes Fixes #464 Fixes #459

To test Run DCSF and DISF with the default number of correlation frames. Using the output files run NDTSF. All jobs should complete without any issues.

ChiCheng45 commented 2 weeks ago

failing tests due to macOS-11 deprecation. #468 opened for this.