AdvancedPhotonSource / GSAS-II

Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials
Other
29 stars 10 forks source link

Doubling cell with LeBail on prevents proper reflection generation #42

Open briantoby opened 2 months ago

briantoby commented 2 months ago

Doubling a unit cell dimension when LeBail mode is already set and then performing a refinement (w/o a reset of structure factors) causes reflection list to be incorrect.