diff --git a/mech2d/mechanics.py b/mech2d/mechanics.py index 98668cd..b3a8460 100644 --- a/mech2d/mechanics.py +++ b/mech2d/mechanics.py @@ -649,8 +649,8 @@ def get_deformed_structure(self,numb_points,max_lag_strain,direction='xx',back=T cell_old= cell.copy() create_path(self.workdir,back=back) - fdis = open(os.path.join(self.workdir,'Deformed_Parameters'),'w') def_params={} + cont1= 0 for i in self.lagrangian_strain_list: Ls_list= Ls_Dic[i] @@ -663,11 +663,7 @@ def get_deformed_structure(self,numb_points,max_lag_strain,direction='xx',back=T def_key = 'Def_'+def_fmt1%cont1 Defn = os.path.join(pwd, self.workdir,'Def_'+def_fmt1%cont1) - create_path(Defn,back=back) - #os.chdir(Defn) - - print(Defn+', Lagrangian strain = ' + Ls_str[i],file=fdis) cont2 = 0 @@ -723,14 +719,11 @@ def get_deformed_structure(self,numb_points,max_lag_strain,direction='xx',back=T cont2 = cont2 + 1 Defn_cont2 = os.path.join(Defn, Defn.split('/')[-1]+'_'+def_fmt2%cont2) - print(Defn_cont2 + ', eta = ' + str(r),file=fdis) def_structs_dict['Path'] = Defn_cont2 def_structs_dict['eta'] = r def_structs_dict['Cell'] = cell_new.tolist() def_structs_list.append(def_structs_dict) - for j in range(3): - print('V'+str(j+1)+' --=>', '%15.10f'%(cell_new[j,0]), '%15.10f'%(cell_new[j,1]), '%15.10f'%(cell_new[j,2]),file=fdis) - print('\n',file=fdis) + #--- Writing the structure file ----------------------------------------------------------- create_path(Defn_cont2,back=False) new_struct=Structure(cell_new,self.structure.species,self.structure.frac_coords) @@ -739,7 +732,6 @@ def get_deformed_structure(self,numb_points,max_lag_strain,direction='xx',back=T #-------------------------------------------------------------------------------------------------- dumpfn(def_params,os.path.join(self.workdir,'Deformed_Parameters.json'),indent=4) #os.chdir(pwd) - fdis.close() self.to(os.path.join(self.workdir,felastic),option={"numb_points":numb_points,"max_lag_strain":max_lag_strain,"V0":V0}) #--------------------------------------------------------------------------------------------------