Modified calculation grouping to be based on the group hash only, as the...

Modified calculation grouping to be based on the group hash only, as the method hash now exactly identifies the method and cannot be used to identify e.g. parameter variations.

rest-api-service/app/api_v1_0/routes.py

@@ -374,8 +374,7 @@ def get_calcs_groups(material_id):
             {"$sort": {"energy.e_val": 1}},
             {"$group": {
                 "_id": {
-                    "method_hash": "$method_hash",
-                    "group_eos_hash": "$%s" % hash_key
+                    "group_hash": "$%s" % hash_key
                 },
                 "calculations_list": {"$push": "$_id"},
                 "minimum": {"$first": {"energy": "$energy.e_val", "calc_id": "$_id"}}
@@ -388,8 +387,7 @@ def get_calcs_groups(material_id):
                 "calculations_list": True,
                 "energy_minimum": "$minimum.energy",
                 "representative_calculation_id": "$minimum.calc_id",
-                "method_hash": "$_id.method_hash",
-                "group_eos_hash": "$_id.group_eos_hash",
+                "group_hash": "$_id.group_hash",
                 "group_type": group_type,
                 "material_hash": material["material_hash"]
             }}