fixed error in RattleMutationLongDistance

63ea8dcc · Malthe Kjær Bisbo · 1e509482 · 63ea8dcc · 63ea8dcc · 63ea8dcc
Commit 63ea8dcc authored 3 years ago by Malthe Kjær Bisbo
--- a/gofee/candidates/__pycache__/__init__.cpython-36.pyc
+++ b/gofee/candidates/__pycache__/__init__.cpython-36.pyc
--- a/gofee/candidates/__pycache__/basic_mutations.cpython-36.pyc
+++ b/gofee/candidates/__pycache__/basic_mutations.cpython-36.pyc
--- a/gofee/candidates/basic_mutations.py
+++ b/gofee/candidates/basic_mutations.py
@@ -487,7 +487,7 @@ class RattleMutationLongDistance(OffspringOperation):
            posi_0 = np.copy(a.positions[i])
            for _ in range(100):
                # Perform rattle
-                j = indices_placed[np.random.choice(len(indices_placed),1)]
+                j = indices_placed[int(np.random.choice(len(indices_placed),1))]
                covalent_dist_ij = covalent_radii[num[i]] + covalent_radii[num[j]]
                rmin = (self.blmin+1)/2 * covalent_dist_ij
                rmax = (self.blmax+1)/2 * covalent_dist_ij