Ejemplo n.º 1
0
def test_write_read_loop(recursive_namelist):
    nl = Namelist(recursive_namelist)
    reread = Namelist()
    reread.read_string(nl.write())
    assert len(reread.electrons) == 0
    assert reread.system.ibrav == 2
    assert reread.system.occupations == 'smearing'
    assert reread.control.prefix == 'al'
Ejemplo n.º 2
0
def test_write_read_loop(recursive_namelist):
    nl = Namelist(recursive_namelist)
    reread = Namelist()
    reread.read_string(nl.write())
    assert len(reread.electrons) == 0
    assert reread.system.ibrav == 2
    assert reread.system.occupations == 'smearing'
    assert reread.control.prefix == 'al'