class OneParticleGF(object):
def __init__(self, cc, eta=0.01):
self.cc = cc
self.eomip = EOMIP(cc)
self.eomea = EOMEA(cc)
self.eta = eta
def solve_ip(self, ps, qs, omegas):
if not isinstance(ps, collections.Iterable): ps = [ps]
if not isinstance(qs, collections.Iterable): qs = [qs]
cc = self.cc
print("solving ip portion")
Sw = initial_ip_guess(cc)
Sw += np.random.rand(Sw.shape[0])
diag = self.eomip.get_diag()
imds = self.eomip.make_imds()
e_vector = list()
for q in qs:
e_vector.append(greens_e_vector_ip_rhf(cc, q))
gfvals = np.zeros((len(ps), len(qs), len(omegas)), dtype=complex)
for ip, p in enumerate(ps):
print 'gf idx', ip
b_vector = greens_b_vector_ip_rhf(cc, p)
for iw, omega in enumerate(omegas):
invprecond_multiply = lambda x: x / (omega + diag + 1j * self.
eta)
def matr_multiply(vector, args=None):
return greens_func_multiply(self.eomip.matvec, vector,
omega + 1j * self.eta, imds)
size = len(b_vector)
Ax = spla.LinearOperator((size, size), matr_multiply)
mx = spla.LinearOperator((size, size), invprecond_multiply)
Sw, info = spla.gmres(Ax, b_vector, x0=Sw, tol=1e-14, M=mx)
if info != 0:
raise RuntimeError
for iq, q in enumerate(qs):
gfvals[ip, iq, iw] = -np.dot(e_vector[iq], Sw)
if len(ps) == 1 and len(qs) == 1:
return gfvals[0, 0, :]
else:
return gfvals
def solve_ea(self, ps, qs, omegas):
if not isinstance(ps, collections.Iterable): ps = [ps]
if not isinstance(qs, collections.Iterable): qs = [qs]
cc = self.cc
print("solving ea portion")
Sw = initial_ea_guess(cc)
diag = self.eomea.get_diag()
e_vector = list()
for p in ps:
e_vector.append(greens_e_vector_ea_rhf(cc, p))
gfvals = np.zeros((len(ps), len(qs), len(omegas)), dtype=complex)
for iq, q in enumerate(qs):
b_vector = greens_b_vector_ea_rhf(cc, q)
for iw, omega in enumerate(omegas):
invprecond_multiply = lambda x: x / (-omega + diag + 1j * self.
eta)
def matr_multiply(vector, args=None):
return greens_func_multiply(self.eomea.matvec, vector,
-omega + 1j * self.eta)
size = len(b_vector)
Ax = spla.LinearOperator((size, size), matr_multiply)
mx = spla.LinearOperator((size, size), invprecond_multiply)
Sw, info = spla.gmres(Ax, b_vector, x0=Sw, tol=1e-14, M=mx)
for ip, p in enumerate(ps):
gfvals[ip, iq, iw] = np.dot(e_vector[ip], Sw)
if len(ps) == 1 and len(qs) == 1:
return gfvals[0, 0, :]
else:
return gfvals
def kernel(self, p, q, omegas):
return self.solve_ip(p, q, omegas) #, self.solve_ea(p, q, omegas)
def __init__(self, cc, eta=0.01):
self.cc = cc
self.eomip = EOMIP(cc)
self.eomea = EOMEA(cc)
self.eta = eta
def __init__(self, cc, nvir_act=0):
EOMIP.__init__(self, cc)
self.nvir_act = nvir_act