You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Developer use Atoms.get_all_distance function which calculates the distance between one atom and all other atoms.
This function can be useful to obtain all the atom pairs in the structure but we need to add additional code to remove the atom pairs with the pair distance longer than cutoff radius.
Instead of using the function, I recommend using ase.neighborlist.
You can find the documentation of it in https://wiki.fysik.dtu.dk/ase/ase/neighborlist.html?highlight=neighborlist#module-ase.neighborlist
reacted with thumbs up emoji reacted with thumbs down emoji reacted with laugh emoji reacted with hooray emoji reacted with confused emoji reacted with heart emoji reacted with rocket emoji reacted with eyes emoji
-
In the code
SIMPLE-NN_v2/test_sf/test_sf.py
Line 149 in 14b4c14
Developer use
Atoms.get_all_distance
function which calculates the distance between one atom and all other atoms.This function can be useful to obtain all the atom pairs in the structure but we need to add additional code to remove the atom pairs with the pair distance longer than cutoff radius.
Instead of using the function, I recommend using ase.neighborlist.
You can find the documentation of it in https://wiki.fysik.dtu.dk/ase/ase/neighborlist.html?highlight=neighborlist#module-ase.neighborlist
Beta Was this translation helpful? Give feedback.
All reactions