From 50c35bfeb2dde2951595889603c0d00e2d8d4d2f Mon Sep 17 00:00:00 2001
From: Pauli Virtanen <pauli.t.virtanen@jyu.fi>
Date: Thu, 25 Apr 2024 11:54:55 +0300
Subject: [PATCH] solver: fix cpr vs. singlet & solver reset
---
usadelndsoc/solver.py | 5 +++--
1 file changed, 3 insertions(+), 2 deletions(-)
diff --git a/usadelndsoc/solver.py b/usadelndsoc/solver.py
index 0004506..6e9af73 100644
--- a/usadelndsoc/solver.py
+++ b/usadelndsoc/solver.py
@@ -1155,6 +1155,7 @@ def _self_consistent_Delta_f(
mask = mask1 & mask2
solver.Delta[mask] = singlet_m(Delta[mask])
+ solver.reset()
if workers is not None:
jobs = []
@@ -1406,11 +1407,11 @@ def cpr(
# Corrector
def constraint_fun(phi, Delta):
# Pseudoarclength constraint
- Delta[phase_mask] = Delta_00[phase_mask] * np.exp(1j * phi)
+ Delta[phase_mask] = singlet(Delta_00[phase_mask]) * np.exp(1j * phi)
m = solver.mask == MASK_NONE
dsa = theta * np.real(
- np.vdot(dDelta[m], Delta[m] - state.Deltas[-1][m])
+ np.vdot(singlet(dDelta[m]), Delta[m] - singlet(state.Deltas[-1][m]))
)
dsb = (1 - theta) * dphi * (phi - state.phis[-1])
dstot = dsa + dsb
--
GitLab