@@ -942,12 +942,8 @@ def save_bin(self, data_dir, population_id = 1):
942942 self .dyn_0 .save_qe ("%s/dyn_gen_pop%d_" % (data_dir , population_id ))
943943
944944 if np .all (len (list (x )) > 0 for x in self .all_properties ):
945- print ('YES PROPERTIES' )
946945 with open (os .path .join (data_dir , "all_properties_pop%d.json" % population_id ), "w" ) as fp :
947946 json .dump ({"properties" : self .all_properties }, fp , cls = NumpyEncoder )
948- else :
949- print ('NOOO WHAT IS HAPPENING' )
950- print (self .all_properties )
951947
952948 def save_extxyz (self , filename , append_mode = True ):
953949 """
@@ -3838,13 +3834,11 @@ def compute_ensemble(self, calculator, compute_stress = True, stress_numerical =
38383834 self .remove_noncomputed ()
38393835
38403836 if is_cluster :
3841- print ("BEFORE COMPUTING:" , self .all_properties )
38423837 cluster .compute_ensemble (computing_ensemble , calculator , compute_stress )
38433838
38443839 else :
38453840 computing_ensemble .get_energy_forces (calculator , compute_stress , stress_numerical , verbose = verbose )
38463841
3847- #print("CE BEFORE MERGE:", len(self.force_computed))
38483842 if timer :
38493843 timer .execute_timed_function (self .init )
38503844 else :
@@ -3853,9 +3847,6 @@ def compute_ensemble(self, calculator, compute_stress = True, stress_numerical =
38533847 if should_i_merge :
38543848 # Remove the noncomputed ensemble from here, and merge
38553849 self .merge (computing_ensemble )
3856- #print("CE AFTER MERGE:", len(self.force_computed))
3857-
3858- #print('ENSEMBLE ALL PROPERTIES:', self.all_properties)
38593850
38603851 def merge (self , other ):
38613852 """
0 commit comments