diff --git a/run.py b/run.py index 992d4d292f6dc16b26ce64219241ecaa1bf87439..17cacc05f58b4881687769f0741cebf1003acf2a 100644 --- a/run.py +++ b/run.py @@ -59,6 +59,6 @@ if __name__ == '__main__': parameters = {'alpha':[1e-4,]} g_search = GridSearchCV(GP, parameters) g_search.fit(X_train, y_train) - + desc.ats=-1 Parallel(n_jobs=10)(delayed(run_para)([xx[i],yy[i],zz[i]],i,desc,scaler,g_search,poscar=atoms) for i in range(len(xx))) \ No newline at end of file