import os from h5 import * from triqs.utility.comparison_tests import * from triqs.utility.h5diff import h5diff import triqs.utility.mpi as mpi from triqs_dft_tools.converters import ElkConverter #get current working directory path cwd = format(os.getcwd()) #location of test directory testdir = cwd+'/elk_equiv_convert' #change to test directory os.chdir(testdir) Converter = ElkConverter(filename='Ni3Al', repacking=True) Converter.hdf_file = 'elk_equiv_convert.out.h5' Converter.convert_dft_input() if mpi.is_master_node(): h5diff('elk_equiv_convert.out.h5','elk_equiv_convert.ref.h5') #return to cwd os.chdir(cwd)