def test_from_chkfile(self): tmpfcidump = tempfile.NamedTemporaryFile(dir=lib.param.TMPDIR) fcidump.from_chkfile(tmpfcidump.name, mf.chkfile, tol=1e-15)
def test_from_chkfile(self): tmpfcidump = tempfile.NamedTemporaryFile() fcidump.from_chkfile(tmpfcidump.name, mf.chkfile, tol=1e-15)
def test_from_chkfile(self): tmpfcidump = tempfile.NamedTemporaryFile(dir=lib.param.TMPDIR) fcidump.from_chkfile(tmpfcidump.name, mf.chkfile, tol=1e-15, molpro_orbsym=True)