Structure refinement

This release protocols the version as used to draft the manuscript

R. Beanland, K. Smith, P. Vaněk, H. Zhang, A. Hubert, K. Evans, R. A. Römer, and S. Kamba, Acta Crystallogr. Sect. A Found. Adv. 77, (2021), DOI: 10.1107/S2053273321001546

See also http://wrap.warwick.ac.uk/144207

Debye-Waller

This release protocols the version as used to draft the manuscript

"Structure refinement from ‘Digital’ Large Angle Convergent Beam Electron Diffraction Patterns"
A. Hubert, R. Roemer and R. Beanland, see arXiv, published in Ultramicroscopy, DOI (2018).

cleanup-refinement-samples

[1] various housekeeping updates on the code

[2] maximum gradient refinements methods

[3] updated filenames for input images

[4] new set of output for sample materials (GaAs, SrTiO3) for testing

FelixSim 1.11; FelixRefine 0.1

revised FelixRefine with working structure and structure factor refinements

Message release

Felix now contains a reworked message system that will make on-screen output message much easier to read and understand. Bascially, using IWriteFLAG from the felix.inp file, one now gets similarly looking output statements from all subroutines in the code, but only once. Increasing IWriteFLAG will increase the number and detail level of messages.

ProportionalAbsorptionRelease

This release is available in local CSC machines as well as on the public RPM server.

1.7

Corrected Samples

Internal test release

Released to all CSC workstations for testing.