From b6e12094c2b41534705c899227968bd6a87d08d3 Mon Sep 17 00:00:00 2001 From: Basil Ibrahim Date: Tue, 17 Sep 2024 18:30:54 +0100 Subject: [PATCH] Add debug print --- dyson/solvers/chempot.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/dyson/solvers/chempot.py b/dyson/solvers/chempot.py index e67d497..c09da5a 100644 --- a/dyson/solvers/chempot.py +++ b/dyson/solvers/chempot.py @@ -127,8 +127,9 @@ def _kernel(self): weights = self.gf.weights() low, high = 0, self.gf.naux mid = high//2 - for iter in range(100): + for iter in range(100): sum = self.occupancy * weights[:mid].sum() + self.log.debug("Number of electrons [0:%d] = %.6f", iter + 1, sum) if sum < self.nelec: low = mid mid = mid + (high-low)//2