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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -839,6 +839,7 @@ def eval_descriptor(
839839 aparam = aparam ,
840840 ** kwargs ,
841841 )
842+ descriptor = model .eval_descriptor ()
842843 except RetrySignal :
843844 return self .eval_descriptor (
844845 coords ,
@@ -849,7 +850,6 @@ def eval_descriptor(
849850 ** kwargs ,
850851 )
851852 finally :
852- descriptor = model .eval_descriptor ()
853853 model .set_eval_descriptor_hook (False )
854854 if self .auto_batch_size is not None :
855855 self .auto_batch_size .set_oom_retry_mode (False )
@@ -909,8 +909,9 @@ def eval_fitting_last_layer(
909909 aparam = aparam ,
910910 ** kwargs ,
911911 )
912+ fitting_net = model .eval_fitting_last_layer ()
912913 except RetrySignal :
913- return self .eval_descriptor (
914+ return self .eval_fitting_last_layer (
914915 coords ,
915916 cells ,
916917 atom_types ,
@@ -919,7 +920,6 @@ def eval_fitting_last_layer(
919920 ** kwargs ,
920921 )
921922 finally :
922- fitting_net = model .eval_fitting_last_layer ()
923923 model .set_eval_fitting_last_layer_hook (False )
924924 if self .auto_batch_size is not None :
925925 self .auto_batch_size .set_oom_retry_mode (False )
Original file line number Diff line number Diff line change @@ -809,6 +809,7 @@ def eval_descriptor(
809809 aparam = aparam ,
810810 ** kwargs ,
811811 )
812+ descriptor = model .eval_descriptor ()
812813 except RetrySignal :
813814 return self .eval_descriptor (
814815 coords ,
@@ -819,7 +820,6 @@ def eval_descriptor(
819820 ** kwargs ,
820821 )
821822 finally :
822- descriptor = model .eval_descriptor ()
823823 model .set_eval_descriptor_hook (False )
824824 if self .auto_batch_size is not None :
825825 self .auto_batch_size .set_oom_retry_mode (False )
@@ -879,8 +879,9 @@ def eval_fitting_last_layer(
879879 aparam = aparam ,
880880 ** kwargs ,
881881 )
882+ fitting_net = model .eval_fitting_last_layer ()
882883 except RetrySignal :
883- return self .eval_descriptor (
884+ return self .eval_fitting_last_layer (
884885 coords ,
885886 cells ,
886887 atom_types ,
@@ -889,7 +890,6 @@ def eval_fitting_last_layer(
889890 ** kwargs ,
890891 )
891892 finally :
892- fitting_net = model .eval_fitting_last_layer ()
893893 model .set_eval_fitting_last_layer_hook (False )
894894 if self .auto_batch_size is not None :
895895 self .auto_batch_size .set_oom_retry_mode (False )
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