From c4933484df5f1eb3e611ccd031e14f17e674f10f Mon Sep 17 00:00:00 2001
From: Pauli Virtanen <pauli.t.virtanen@jyu.fi>
Date: Fri, 12 Jan 2024 13:57:43 +0200
Subject: [PATCH] solver: add some docs, remove Results.g
Add some docstrings.
Remove results.g, which is unused (and was wrong too).
---
usadelndsoc/solver.py | 72 +++++++++++++++++++++++++++++++++++++------
1 file changed, 62 insertions(+), 10 deletions(-)
diff --git a/usadelndsoc/solver.py b/usadelndsoc/solver.py
index 3ca19ed..c8e2783 100644
--- a/usadelndsoc/solver.py
+++ b/usadelndsoc/solver.py
@@ -495,6 +495,13 @@ class Solver:
@functools.wraps(_solve)
def solve(self, omega, **kw):
+ """
+ Solve for a given value of omega.
+
+ Returns
+ -------
+ result : Result
+ """
_log_solve.info(f"omega = {omega}")
nx, ny = self.shape
Phi00 = np.zeros_like(self._Phi)
@@ -549,6 +556,13 @@ class Solver:
return M
def solve_many(self, omega, **kw):
+ """
+ Solve for many values of omega.
+
+ Returns
+ -------
+ result : Result
+ """
omega0 = np.asarray(omega)
omega = omega0.ravel()
@@ -596,6 +610,14 @@ def _bcast_left(x, shape):
class Result:
+ """Resulting Green function and derived quantities.
+
+ Can describe either at a single Matsubara frequency, or multiple.
+ If multiple, the first array dimension corresponds to the
+ Matsubara frequencies.
+
+ """
+
def __init__(self, parent, omega, Phi, core=None):
self._core = core if core is not None else parent._core
self.shape = parent.shape
@@ -608,10 +630,16 @@ class Result:
@property
def Delta(self):
+ """
+ Order parameter. Shape (nx, ny, 2, 2).
+ """
return _DeltaArray(self.Omega)
@property
def G(self):
+ """
+ Green function Nambu 11-block. Shape ([nw,] nx, ny, 2, 2).
+ """
g = self.Phi[..., 0, :, :]
gt = self.Phi[..., 1, :, :]
I = np.eye(2)
@@ -621,6 +649,9 @@ class Result:
@property
def Gc(self):
+ """
+ Green function Nambu 22-block. Shape ([nw,] nx, ny, 2, 2).
+ """
g = self.Phi[..., 0, :, :]
gt = self.Phi[..., 1, :, :]
I = np.eye(2)
@@ -630,6 +661,9 @@ class Result:
@property
def F(self):
+ """
+ Green function Nambu 12-block. Shape ([nw,] nx, ny, 2, 2).
+ """
g = self.Phi[..., 0, :, :]
gt = self.Phi[..., 1, :, :]
I = np.eye(2)
@@ -639,6 +673,9 @@ class Result:
@property
def Fc(self):
+ """
+ Green function Nambu 21-block. Shape ([nw,] nx, ny, 2, 2).
+ """
g = self.Phi[..., 0, :, :]
gt = self.Phi[..., 1, :, :]
I = np.eye(2)
@@ -646,16 +683,6 @@ class Result:
with np.errstate(invalid="ignore"):
return 2 * s * np.linalg.solve(I + gt @ g, gt)
- @property
- def g(self):
- g = self.Phi[..., 0, :, :]
- gt = self.Phi[..., 0, :, :]
- I = np.eye(2)
- s = _bcast_left(np.sign(self.omega), g.shape)
- with np.errstate(invalid="ignore"):
- G = self.G
- return s * np.linalg.solve(I + gt @ g, I - gt @ g)
-
def _get_J(self, omega, Phi):
old_omega = self._core.omega
self._core.omega = omega
@@ -674,6 +701,9 @@ class Result:
@property
def S(self):
+ """
+ Matrix density, dS/dOmega. Shape ([nw,] nx, ny, 4, 4)
+ """
if np.asarray(self.omega).ndim == 0:
return self._get_S(self.omega, self.Phi)
else:
@@ -683,6 +713,16 @@ class Result:
@property
def J(self):
+ """
+ Matrix current, dS/dA. Shape ([nw,] nx, ny, 4(direction), 4, 4).
+
+ The meaning of the direction index is:
+
+ - RIGHT (0): current exiting cell (x,y) to cell (x+1,y)
+ - UP (1): current exiting cell (x,y) to cell (x,y+1)
+ - LEFT (2): current entering cell (x,y) from cell (x-1,y)
+ - DOWN (3): current entering cell (x,y) from cell (x,y-1)
+ """
if np.asarray(self.omega).ndim == 0:
return self._get_J(self.omega, self.Phi)
else:
@@ -692,11 +732,23 @@ class Result:
@property
def J_c(self):
+ """
+ Spectral charge current. Shape ([nw,] nx, ny, 4(direction)).
+
+ Direction index has same meaning as for :ref:`J`.
+ """
t3 = np.diag([1, 1, -1, -1])
return tr(self.J @ t3)
@property
def J_s(self):
+ """
+ Spectral spin current. Shape ([nw,] nx, ny, 4(direction), 3(spin-direction)).
+
+ The current direction index has same meaning as for :ref:`J`.
+
+ The spin direction index means (x, y, z).
+ """
jx = tr(self.J @ np.kron(s0, sx))
jy = tr(self.J @ np.kron(s0, sy))
jz = tr(self.J @ np.kron(s0, sz))
--
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