From 5660b7bba945dc3c2921f5d136c3ecfe6d77e078 Mon Sep 17 00:00:00 2001 From: Michele Ceriotti Date: Tue, 24 Dec 2024 22:55:18 +0100 Subject: [PATCH] Added a message about inversions. --- ipi/engine/forcefields.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/ipi/engine/forcefields.py b/ipi/engine/forcefields.py index f74e06831..bb3c026cd 100644 --- a/ipi/engine/forcefields.py +++ b/ipi/engine/forcefields.py @@ -1520,7 +1520,7 @@ def __init__( f""" # Generating {self.grid_mode} rotation quadrature of order {self.grid_order}. # Grid contains {len(self._rotations)} proper rotations. -""", +{("# Inversion is also active, doubling the number of evaluations." if self.inversion else "")}""", verbosity.low, )