def symmetrize(self, a_g, op_scc, ft_sc=None):
if len(op_scc) == 1:
return
A_g = self.collect(a_g)
if self.comm.rank == 0:
B_g = np.zeros_like(A_g)
for i, op_cc in enumerate(op_scc):
if ft_sc == None:
_gpaw.symmetrize(A_g, B_g, op_cc)
else:
_gpaw.symmetrize_ft(A_g, B_g, op_cc, ft_sc[i])
else:
B_g = None
self.distribute(B_g, a_g)
a_g /= len(op_scc)
def symmetrize(self, a_g, op_scc, ft_sc=None):
if len(op_scc) == 1:
return
if ft_sc is not None and not ft_sc.any():
ft_sc = None
A_g = self.collect(a_g)
if self.comm.rank == 0:
B_g = np.zeros_like(A_g)
for s, op_cc in enumerate(op_scc):
if ft_sc is None:
_gpaw.symmetrize(A_g, B_g, op_cc)
else:
_gpaw.symmetrize_ft(A_g, B_g, op_cc, ft_sc[s])
else:
B_g = None
self.distribute(B_g, a_g)
a_g /= len(op_scc)
def symmetrize(self, a_g, op_scc, ft_sc=None):
# ft_sc: fractional translations
# XXXX documentation missing. This is some kind of array then?
if len(op_scc) == 1:
return
if ft_sc is not None and not ft_sc.any():
ft_sc = None
A_g = self.collect(a_g)
if self.comm.rank == 0:
B_g = np.zeros_like(A_g)
for s, op_cc in enumerate(op_scc):
if ft_sc is None:
_gpaw.symmetrize(A_g, B_g, op_cc)
else:
_gpaw.symmetrize_ft(A_g, B_g, op_cc, ft_sc[s])
else:
B_g = None
self.distribute(B_g, a_g)
a_g /= len(op_scc)