From 271f69c8ee7e409e8dc74fb372218f5badbc4e57 Mon Sep 17 00:00:00 2001 From: EBB2675 Date: Thu, 2 Jan 2025 10:53:39 +0100 Subject: [PATCH] modify reference determinants in HF base class --- src/nomad_simulations/schema_packages/model_method.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/nomad_simulations/schema_packages/model_method.py b/src/nomad_simulations/schema_packages/model_method.py index 6fb99f95..e565d264 100644 --- a/src/nomad_simulations/schema_packages/model_method.py +++ b/src/nomad_simulations/schema_packages/model_method.py @@ -1416,9 +1416,9 @@ class HartreeFock(ModelMethodElectronic): """ reference_determinant = Quantity( - type=MEnum('UHF', 'RHF', 'ROHF', 'UKS', 'RKS', 'ROKS'), + type=MEnum('UHF', 'RHF', 'ROHF'), description=""" - the type of reference determinant. + Type of reference determinant. """, )