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update changelog
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newville committed Apr 1, 2022
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Expand Up @@ -4,18 +4,56 @@ All notable changes to this project will be documented in this file.

The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/).

## [0.9.59 - not relased yet]
## [0.9.59 - 2022-04-01]

[Release announcement]()

### Added
- Reading files from [FDMNES](http://fdmnes.neel.cnrs.fr/).
- 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 afterwards. Recalibratng energies can propogate
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.
- 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 installation of Applicatons 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 fiitting: faster, better guesss 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

### 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)

## [0.9.58 - 2022-01-16]

Expand Down Expand Up @@ -68,9 +106,9 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/).
- Larch's GUI applications on non-US Windows 10 machines.
- There was a serious bug (possibly since Larch 0.9.52) for using wxPython applications with Python>=3.8 and wxPython>=4.1.0.
- Fixes for turning CIF structures into Feff inputs and running Feff:
- more external CIF files from Crystallography Open Database and Materials Project can be converted to Feff.inp.
- external Feff.inp files can be loaded and run.
- the name of the folder created for any Feff calculation can be renamed before running Feff.
- more external CIF files from Crystallography Open Database and Materials Project can be converted to Feff.inp.
- external Feff.inp files can be loaded and run.
- the name of the folder created for any Feff calculation can be renamed before running Feff.
- Fixed a bug on the EXAFS / background subtraction panel on "copied groups" to ensure that processing parameters (kweight, rbkg, etc) are kept separate.

### Changed
Expand Down Expand Up @@ -109,7 +147,7 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/).
### Fixed
- XAS viewer
- Parameters saved in an Athena Project File are now correctly saved and read
into XAS Viewer (thanks Tyler Valentine!)
into XAS Viewer (thanks Tyler Valentine!)

### Added
- XAS viewer
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