def get_mindist(self):
if self.get_nzero_modes() != 0:
raise RuntimeError(
"Dealing properly with the rotational degrees of freedom in clusters with 1 or 2 frozen atoms is not implemented yet"
)
return lambda x1, x2: optimize_permutations(
x1, x2, permlist=self.get_permlist())
def get_mindist(self):
return lambda x1, x2: optimize_permutations(x1, x2, permlist=self.get_permlist(),
box_lengths=self.boxvec)
def get_mindist(self):
return lambda x1, x2: optimize_permutations(x1, x2, permlist=self.get_permlist())
def get_mindist(self):
return lambda x1, x2: optimize_permutations(
x1, x2, permlist=self.get_permlist(), box_lengths=self.boxvec)
def get_mindist(self):
if self.get_nzero_modes() != 0:
raise RuntimeError(
"Dealing properly with the rotational degrees of freedom in clusters with 1 or 2 frozen atoms is not implemented yet")
return lambda x1, x2: optimize_permutations(x1, x2, permlist=self.get_permlist())
def get_mindist(self):
return lambda x1, x2: optimize_permutations(
x1, x2, permlist=self.get_permlist())