main_JACR calls importPositions (does the haircutting on avg global), assembles atoms from avg+disp, then calls ewave (which saves off beam.png
my haircutchecker file (opened in ovito) looks fine. but my beam.png appears to show unhaircutted atoms. did something not work or is ase re-wrapping for us or something?
haircutchecker.txt
hBN_0m_01.txt
main_JACR calls importPositions (does the haircutting on avg global), assembles atoms from avg+disp, then calls ewave (which saves off beam.png
my haircutchecker file (opened in ovito) looks fine. but my beam.png appears to show unhaircutted atoms. did something not work or is ase re-wrapping for us or something?
haircutchecker.txt
hBN_0m_01.txt