Kvec talks to isodistort #139
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- 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
… not help); skip test when run within Pytest
…mporter package install
improvements to deformation math
…orting of warnings
# Conflicts: # GSASII/GSASIIimage.py # GSASII/GSASIIplot.py
…ddress Spyder warnings
… force values to be floats
…t colors for spinning RB
implement drawing of deformation surface on ball like atoms - not complete
…s "F^4" to "F^2" fix Sph Harm texture bugs from newest python/numpy
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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