From c5ab690a79f89247f3bb0122092a176261c33a13 Mon Sep 17 00:00:00 2001
From: Eric Berquist <eric.berquist@gmail.com>
Date: Tue, 20 May 2025 22:37:16 -0400
Subject: [PATCH] ORCA: pre-4.1 geometry optimizations missing rotational
 constants

---
 regressionfiles.yaml | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/regressionfiles.yaml b/regressionfiles.yaml
index a28f68e..cc1f5e5 100644
--- a/regressionfiles.yaml
+++ b/regressionfiles.yaml
@@ -628,7 +628,7 @@ regressions:
   - loc_entry: ORCA/ORCA2.8/co_cosmo.out
   - loc_entry: ORCA/ORCA2.8/dvb_gopt.out
     tests:
-      - OrcaGeoOptTest
+      - OrcaGeoOptTest_norotconsts
   - loc_entry: ORCA/ORCA2.8/dvb_ir.out
     tests:
       - OrcaIRTest_old
@@ -651,7 +651,7 @@ regressions:
   - loc_entry: ORCA/ORCA2.9/PCB_1_122.out
   - loc_entry: ORCA/ORCA2.9/dvb_gopt.out
     tests:
-      - OrcaGeoOptTest
+      - OrcaGeoOptTest_norotconsts
   - loc_entry: ORCA/ORCA2.9/dvb_ir.out
     tests:
       - OrcaIRTest_pre4
@@ -687,7 +687,7 @@ regressions:
       - GenericBOMDTest
   - loc_entry: ORCA/ORCA3.0/dvb_gopt.out
     tests:
-      - OrcaGeoOptTest
+      - OrcaGeoOptTest_norotconsts
   - loc_entry: ORCA/ORCA3.0/dvb_gopt_unconverged.out
   - loc_entry: ORCA/ORCA3.0/dvb_ir.out
     tests:
@@ -729,7 +729,7 @@ regressions:
   - loc_entry: ORCA/ORCA4.0/comment_or_blank_line.out
   - loc_entry: ORCA/ORCA4.0/dvb_gopt.out
     tests:
-      - OrcaGeoOptTest
+      - OrcaGeoOptTest_norotconsts
   - loc_entry: ORCA/ORCA4.0/dvb_ir.out
     tests:
       - OrcaIRTest