def print_x(self, xk, gap=np.nan, detr=np.nan):
elapsed = time.time() - self.start
data = [self.counter, self.args['results']['fun'], elapsed - self.prev]
data += [gap, detr]
data += xk.tolist()
save_to_file(self.f, data, True)
self.prev = elapsed
def diag_obc(self):
N = self.args['wire'].N
nb = self.args['wire'].nsc
h = self.args['wire'].make_OBC_hamiltonian()
eigvals, eigvecs = np.linalg.eigh(h)
save_to_file(self.f_diag_eig, eigvals, True)
nbv = self.cb_opts['nb_eigvecs']
save_to_file(
self.f_diag_vec,
[range(2*nb-nbv, 2*nb+nbv), eigvecs[:, 2*nb-nbv:2*nb+nbv].T], True
)
def getGap(self, bh_iter=False):
sol = self.args['wire'].make_RGF_solver()
energies = self.args['energies']
cond = []
for en in energies:
cond.append(sol.conductance_BdeG('L', en + 1e-8))
rMat = sol.rMatrix_majorana('L')
detr = fctDef.getDetr(rMat, sol)
save_to_file(self.fc, np.real(cond), True)
return None, detr
def open_files(self, name, iter):
if self.cb_opts.get('print_cond', False):
self.fc = self.filename('cond', iter)
save_to_file(self.fc, [None], False)
if self.cb_opts.get('print_dos', False):
self.fd = self.filename('dos', iter)
save_to_file(self.fd, [None], False)
if self.cb_opts.get('print_ldos', False):
self.f_ldos = self.filename('ldos', iter)
save_to_file(self.f_ldos, [None], False)
if self.cb_opts.get('print_diag_obc', False):
self.f_diag_eig = self.filename('diag_eig', iter)
save_to_file(self.f_diag_eig, [None], False)
self.f_diag_vec = self.filename('diag_vec', iter)
save_to_file(self.f_diag_vec, [None], False)
def basinhopping_callback(self, xk, f, accept):
elapsed = time.time() - self.start
self.bh_counter += 1
if self.cb_opts.get('bh_verbose', False):
sent = 'Basin hopping callback: '
print('{}\t{}\t{}'.format(sent, self.counter, elapsed))
print(f, accept)
dataline = [self.bh_counter, self.counter, f, int(accept)]
dataline += [elapsed - self.bh_prev]
dataline += [self.args.get('penalty_weight',0)]
dataline += xk.tolist()
save_to_file(self.fbh, dataline, True)
self.bh_prev = elapsed
self.close_files()
if self.bh_best is None:
self.bh_best = f
elif f <= self.bh_best:
self.bh_best = f
def print_header_bh_file(self):
title = ['iter', 'iter_opt', 'Phi', 'accept', 'iter_time', 'penalty_weight']
title += ['x{}'.format(i) for i in range(self.dims)]
save_to_file(self.fbh, title)
def print_header_iter_file(self):
title = ['iter', 'Phi', 'iter_time', 'hgap', 'det_r']
title += ['x{}'.format(i) for i in range(self.dims)]
save_to_file(self.f, title, False)
def close_files(self):
save_to_file(self.f, [None], True)
if self.cb_opts.get('print_cond', False):
save_to_file(self.fc, [None], True)
if self.cb_opts.get('print_dos', False):
save_to_file(self.fd, [None], True)
if self.cb_opts.get('print_ldos', False):
save_to_file(self.f_ldos, [None], True)
if self.cb_opts.get('print_diag_obc', False):
save_to_file(self.f_diag_eig, [None], True)
save_to_file(self.f_diag_vec, [None], True)
def print_ldos(self):
sol = self.args['wire'].make_RGF_solver()
ldos = ldos_utils.ldos_vs_X(sol, self.args['E0'], BdeG=True)
save_to_file(self.f_ldos, ldos.real, True)
def print_dos(self):
sol = self.args['wire'].make_RGF_solver()
dos = []
for en in self.args['energies']:
dos.append(np.sum(ldos_utils.ldos_vs_X(sol, en, BdeG=True)))
save_to_file(self.fd, np.real(dos), True)