mirror of
https://github.com/triqs/dft_tools
synced 2024-10-31 11:13:46 +01:00
24 lines
626 B
Python
24 lines
626 B
Python
|
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)
|