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lines changed Original file line number Diff line number Diff line change @@ -191,7 +191,7 @@ def forward(
191191 if self .modifier is not None :
192192 modifier_pred = self .modifier (** input_dict )
193193 for k , v in modifier_pred .items ():
194- model_pred [k ] = model_pred [k ] - v
194+ model_pred [k ] = model_pred [k ] + v
195195 return model_pred , None , None
196196 else :
197197 natoms = atype .shape [- 1 ]
Original file line number Diff line number Diff line change @@ -374,11 +374,11 @@ def test_inference(self):
374374 model_pred = model .eval (coord , cell , atype )
375375 modifier_pred = modifier .eval (coord , cell , atype )
376376 model_pred_ref = model_ref .eval (coord , cell , atype )
377- # expected: output_model - sfactor * output_modifier
377+ # expected: output_model = output_model_ref + sfactor * output_modifier
378378 for ii in range (3 ):
379379 np .testing .assert_allclose (
380380 model_pred [ii ],
381- model_pred_ref [ii ] - sfactor * modifier_pred [ii ],
381+ model_pred_ref [ii ] + sfactor * modifier_pred [ii ],
382382 rtol = 1e-5 ,
383383 atol = 1e-8 ,
384384 )
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