Merge branch 'master' into feat/lattice_swaps

lab-cosmo · Aug 17, 2023 · bef217e · bef217e
2 parents 818a006 + 7369432
commit bef217e
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/ipi/engine/motion/atomswap.py b/ipi/engine/motion/atomswap.py
@@ -170,7 +170,7 @@ def step(self, step=None):
                 while self.beads.names[axlist[i]] == self.beads.names[axlist[j]]:
                     j = self.prng.rng.randint(lenlist)  # makes sure we pick a real exchange
 
-                # pick actual atom indices
+                # map the "subset" indices back to the "absolute" atom indices
                 i = axlist[i]
                 j = axlist[j]
                 print(f"Trying {self.beads.names[i]} <--> {self.beads.names[j]}")