Coverage for gpaw/test/utilities/test_elf.py: 100%

9 statements  

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1import pytest 

2 

3from gpaw.new.ase_interface import GPAW 

4from gpaw.elf import elf_from_dft_calculation 

5 

6 

7@pytest.mark.parametrize('name', ['h2_fd', 'bcc_li_pw']) 

8def test_elf(gpw_files, name): 

9 dft = GPAW(gpw_files[name]).dft 

10 e_R = elf_from_dft_calculation(dft) 

11 print(e_R.data.min()) 

12 print(e_R.data.max())