use if False
instead of commenting out code
This commit is contained in:
parent
2a9e482e44
commit
98c973743f
@ -554,7 +554,7 @@ def eigsolve(
|
||||
prev_E = 0.0
|
||||
d_scale = 1.0
|
||||
prev_traceGtKG = 0.0
|
||||
#prev_theta = 0.5
|
||||
prev_theta = 0.5
|
||||
D = numpy.zeros(shape=y_shape, dtype=complex)
|
||||
|
||||
Z: NDArray[numpy.complex128]
|
||||
@ -674,7 +674,7 @@ def eigsolve(
|
||||
trace = _rtrace_AtB(R, Qi)
|
||||
return numpy.abs(trace)
|
||||
|
||||
'''
|
||||
if False:
|
||||
def trace_deriv(theta):
|
||||
Qi = Qi_func(theta)
|
||||
c2 = numpy.cos(2 * theta)
|
||||
@ -705,8 +705,18 @@ def eigsolve(
|
||||
theta = -abs(prev_theta) * numpy.sign(dE)
|
||||
|
||||
# theta, new_E, new_dE = linmin(theta, E, dE, 0.1, min(tolerance, 1e-6), 1e-14, 0, -numpy.sign(dE) * K_PI, trace_func)
|
||||
theta, n, _, new_E, _, _new_dE = scipy.optimize.line_search(trace_func, trace_deriv, xk=theta, pk=numpy.ones((1,1)), gfk=dE, old_fval=E, c1=min(tolerance, 1e-6), c2=0.1, amax=pi)
|
||||
'''
|
||||
theta, n, _, new_E, _, _new_dE = scipy.optimize.line_search(
|
||||
trace_func,
|
||||
trace_deriv,
|
||||
xk=theta,
|
||||
pk=numpy.ones((1, 1)),
|
||||
gfk=dE,
|
||||
old_fval=E,
|
||||
c1=min(tolerance, 1e-6),
|
||||
c2=0.1,
|
||||
amax=pi,
|
||||
)
|
||||
|
||||
result = scipy.optimize.minimize_scalar(trace_func, bounds=(0, pi), tol=tolerance)
|
||||
new_E = result.fun
|
||||
theta = result.x
|
||||
@ -716,7 +726,7 @@ def eigsolve(
|
||||
Z *= numpy.cos(theta)
|
||||
Z += D * numpy.sin(theta)
|
||||
|
||||
#prev_theta = theta
|
||||
prev_theta = theta
|
||||
prev_E = E
|
||||
|
||||
if callback:
|
||||
|
Loading…
Reference in New Issue
Block a user