nnshell

Nearest Neighbor Shell 3.50, by Axel van de Walle and Paul Dalach
  -l=[string]   Input file defining the lattice (default: lat.in)
 -lb            List bond types in given structures (Default: Off)
-sig=[int]      Number of significant digits to print in output files (Default: 5)
  -r=[real]     Define a max radius for neighbor search (Default: 0)
  -d            Use all default values (Default: Off)


avdw@alum.mit.edu Sat, Jun 21, 2025 12:31:12 AM