@@ -419,7 +419,7 @@ def _init_sevennet_model(self):
419419 KEY .CUEQUIVARIANCE_CONFIG : self .params ["cuequivariance_config" ],
420420 }
421421
422- print (f"config_dict: { config_dict } " )
422+ # print(f"config_dict: {config_dict}")
423423 self .sevennet_model = build_E3_equivariant_model (config_dict )
424424 # set batch mode
425425 self .sevennet_model .set_is_batch_data (True )
@@ -588,6 +588,10 @@ def compute_or_load_stat(self, sampled_func, stat_file_path: Optional[DPPath] =
588588 # sample_data = sampled_func() if callable(sampled_func) else sampled_func
589589 # if len(sample_data) > 0 and "force" in sample_data[0]:
590590 # keys_to_compute.append("force")
591+ if stat_file_path is not None and self .type_map is not None :
592+ # descriptors and fitting net with different type_map
593+ # should not share the same parameters
594+ stat_file_path /= " " .join (self .type_map )
591595
592596 bias_out , std_out = compute_output_stats (
593597 sampled_func ,
@@ -597,7 +601,7 @@ def compute_or_load_stat(self, sampled_func, stat_file_path: Optional[DPPath] =
597601 rcond = None ,
598602 preset_bias = self .preset_out_bias ,
599603 )
600- print ("bias_out" , bias_out )
604+ # print("bias_out", bias_out)
601605 # print("std_out", std_out)
602606 # Set energy bias (e0) - this is the only bias correction we apply
603607 if "energy" in bias_out :
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