0.9.59

[0.9.59 - 2022-04-01]

Release announcement

Added

• Reading files from FDMNES.
• XAS Viewer allows reading in a reference spectrum from the same file as a spectrum.
• XAS_Viewer better supports each spectrum having an "energy reference spectrum". This
  can be set on reading spectra, or afterward. Recalibrating energies can propagate
  calibrations to spectra that share a reference.
• XAS Viewer better supports an "energy shift" for each spectrum -- this can be copied
  to other spectra or "undone" to go back to the original (as read-in) data.
• XAS Viewer: data can be deglitched while plotting in "k" space"
• XAS Viewer: "flattened" spectra can be used for linear analysis in more places.
• Example using Jupyter and Fe pre-edge peaks.

Changed

• XAS Viewer: the action of the "pin icon" for selecting points from a plot has now changed.
  Previously hitting the pin icon meant "use most recently clicked point on plot". Now,
  hitting the pin icon starts a timer which will look for mouse clicks after hitting
  the pin icon:
  a) if there are new mouse clicks on the plot, wait at least 3 seconds, and return
  the most recent position.
  b) if there are no mouse clicks after 15 seconds, return the most recent position
  (even before clicking on the pin)

Fixed

• Reading columns names from one-line header, and for files that announce as XDI but
  break XDI specs (say, by having >128 columns).
• Better handling of CIFs with partial occupancy when generating feff.inp.
• NLEG is set to 6 by default when generating feff.inp.
• By default, hydrogen atoms are removed when generating feff.inp (XAS Viewer and cif2feff)
• Athena project files with very long journals are better supported.
• Some permission problems for the installation of Applications on MacOS have been avoided.
• "get current working directory" is now tested uniformly for permission errors.
• MapViewer: more robust and flexible search for tomographic rotation axis.
• Fix for spec/HDF5 files with broken "scan" link.
• XRF Display spectral fitting: faster, better guesses for parameter scales, and show
  filled eigenvectors (wxmplot 0.9.49)
• MapViewer / XRF Display: much improved ADD ROIs, including pushing XRF ROIs added in
  XRF Display back to the list in Mapviewer.
• MapViewer: The order of ROIs added is now preserved, including for work arrays and
  Abundances from XRF analysis.

Removed

• Plugins are now completely removed
• 32-bit Windows is no longer supported: libraries and executables have been removed.
• Cromer-Libermann is more deprecated and hidden (but not completely gone, yet)

0.958

This release is mostly a set of bug fixes related to installation issues.

0.9.57

[0.9.57 - 2021-12-02]

Added

• Read RIXS files from BM16 at ESRF.
• Option --devel in GetLarch.sh to install from source.
• xas_viewer
  • File->Save as

Changed

• Module rixsdata moved from larch.qtrixs to larch.io
• Force UTF8 encoding in read_ascii
• xas_viewer
  • File->Save overwrites by default.
  • Better deglitching dialog, including viewing data as chi(E).
  • Loading a Peak Model is now allowed at any time.
  • Default Project filenames are taken from timestamp.

Fixed

• Problem with yaml load in GetLarch.sh
• Problem in interpolation with nearly repeated x values
• Messages reporting progress when processing XRF Maps
• Reading Athena Project files with non-ASCII characters

0.9.56

many small fixes, especially to be compatible with lmfit version 1.0.3

0.9.55

update action badges

0.9.53

[0.9.53 - 2021-07-02]

Fixed

• XAS viewer
  • fixed various bugs in Spec/BLISS files importer -- silx version 0.15.2 is now required.
  • "GetLarch.sh" and "GetLarch.bat" scripts now use "miniforge", should provide faster downloads and installs.
  • fixed (hopefully) random Text controls events on startup on Windows.
  • several small improvement feffpath and feffit functions for better managing Path Parameters with lmfit

Added

• XAS viewer
  • Add GUI Browser for CIF Files from American Mineralogist Crystal Structure Database
  • Code for converting CIF files to feff6/8 input files, GUI form to run Feff, organize results in users .larch/feff folder
  • Feff Path Browser for import Feff.dat files from .larch/feff
  • Feffit Tab added to XAS Viewer for (1 data set) Feff Fitting, with history of fits, saving of fit script.
  • EXAFS Panel can show chi(q) data.

0.9.53rc1

test of 0.9.53

0.9.52

0.9.52

0.9.51

tag 0.9.51

0.9.50

update manifest