flake8 fixes

This commit is contained in:
Jan Petykiewicz 2024-07-17 23:15:57 -07:00
commit dc3e733e7f
3 changed files with 20 additions and 16 deletions

View file

@ -684,11 +684,11 @@ def eigsolve(
Qi = Qi_func(theta)
c2 = numpy.cos(2 * theta)
s2 = numpy.sin(2 * theta)
F = -0.5*s2 * (ZtAZ - DtAD) + c2 * symZtAD
F = -0.5 * s2 * (ZtAZ - DtAD) + c2 * symZtAD
trace_deriv = _rtrace_AtB(Qi, F)
G = Qi @ F.conj().T @ Qi.conj().T
H = -0.5*s2 * (ZtZ - DtD) + c2 * symZtD
H = -0.5 * s2 * (ZtZ - DtD) + c2 * symZtD
trace_deriv -= _rtrace_AtB(G, H)
trace_deriv *= 2
@ -696,12 +696,12 @@ def eigsolve(
U_sZtD = U @ symZtD
dE = 2.0 * (_rtrace_AtB(U, symZtAD) -
_rtrace_AtB(ZtAZU, U_sZtD))
dE = 2.0 * (_rtrace_AtB(U, symZtAD)
- _rtrace_AtB(ZtAZU, U_sZtD))
d2E = 2 * (_rtrace_AtB(U, DtAD) -
_rtrace_AtB(ZtAZU, U @ (DtD - 4 * symZtD @ U_sZtD)) -
4 * _rtrace_AtB(U, symZtAD @ U_sZtD))
d2E = 2 * (_rtrace_AtB(U, DtAD)
- _rtrace_AtB(ZtAZU, U @ (DtD - 4 * symZtD @ U_sZtD))
- 4 * _rtrace_AtB(U, symZtAD @ U_sZtD))
# Newton-Raphson to find a root of the first derivative:
theta = -dE / d2E