From 8c6ae1a4b3bac5967c1f24e6f4ffa34e24b0179b Mon Sep 17 00:00:00 2001 From: EBB2675 Date: Fri, 11 Oct 2024 14:55:26 +0200 Subject: [PATCH] fix point charge Quantity type --- src/nomad_simulations/schema_packages/basis_set.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/nomad_simulations/schema_packages/basis_set.py b/src/nomad_simulations/schema_packages/basis_set.py index f2e68a8e..39079686 100644 --- a/src/nomad_simulations/schema_packages/basis_set.py +++ b/src/nomad_simulations/schema_packages/basis_set.py @@ -238,7 +238,7 @@ class AtomCenteredFunction(ArchiveSection): ) point_charge = Quantity( - type=np.int32, + type=np.float32, description=""" the value of the point charge. """,