From ae01589d261fc01c819a6341b2a5c300849312d8 Mon Sep 17 00:00:00 2001 From: "Adam J. Jackson" Date: Wed, 6 Sep 2023 09:54:55 +0100 Subject: [PATCH] Comment on mysterious "dimensionless" casting Requested by @oerc0122 --- euphonic/powder.py | 1 + 1 file changed, 1 insertion(+) diff --git a/euphonic/powder.py b/euphonic/powder.py index c20ebf455..b51105e07 100644 --- a/euphonic/powder.py +++ b/euphonic/powder.py @@ -345,6 +345,7 @@ def _qpts_cart_to_frac(qpts: Quantity, """ lattice = crystal.reciprocal_cell() + # Cast 'dimensionless' to ensure length units are cancelled properly return np.linalg.solve(lattice.T, qpts.T).T.to('dimensionless').magnitude