Kvec talks to isodistort #139
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Don't have it configured yet
Makes launching application a bit nicer: `python -m GSASII`
- pixi run install-editable / pixi run install-editable-win installs into the pixi env in editable mode so `pixi run ui` will pick up changes. Should auto-recompile for changes to fortran code - pixi run build-and-go / pixi run build-and-go-win Both installs (by building a wheel) and launches the ui
Conflicts were due to stripping whitespace.
All conflicts whitespace related
- update some dependencies - generate v5 lock file
Use meson-python to package GSAS-II and prototype pixi to manage development environment
* CI: add job to smoke-test building and installing * CI: fix GHA event spelling * CI: run an all branches for debugging reasons * CI: run on all but pushes to master * CI: try to drive pixi workflow differently * CI: tell pixi where the manifest is
…require as a conda package rather than patch
…CifRW files replaced w/conda package)
… into Python and where binaries are in separate location; don't build unneeded binaries; remove more trailing spaces; rename GSASII.py to GSASIIGUI.py and create ../GSASII.py for use when GSASII is not installed into Python.
Bld/inc input data
…e startup messages; remove newLeBail from HAP (not used there)
improvements to deformation math
…orting of warnings
# Conflicts: # GSASII/GSASIIimage.py # GSASII/GSASIIplot.py
…ddress Spyder warnings
… force values to be floats
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I added in the capability to communicate with the
isodistortserver after the k-vector search in GSAS-II. Once we get the searched k-vector table, we can select either of the k vectors in the table and click on the button to talk toisodistort.Currently, I am only outputting all the CIF files corresponding to all the isotropic subgroups associated with the selected k vector. The next step will be to incorporate those CIF files into independent GSAS-II project file, which I may need help from @briantoby
N.B. For the moment, I am outputting all the CIF files into
os.getpwd(). Not sure whether this is the optimal solution.Also, after the output is done, I am having a message box saying the job is done and include the output path in the message box. However, it seems the path in the message box would be wrapped up and I don't know the way to control the message box window size so that the path can be displayed in a single line.Here is the file that we can use for testing and further development.
Ba6Co6_nuc_refine.gpx.zip