Python from_chkfile Examples

Example #1

File: test_fcidump.py Project: chrinide/pyscf

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

Example #2

File: test_fcidump.py Project: berquist/pyscf

 def test_from_chkfile(self):
     tmpfcidump = tempfile.NamedTemporaryFile()
     fcidump.from_chkfile(tmpfcidump.name, mf.chkfile, tol=1e-15)

Example #3

File: test_fcidump.py Project: sunchong137/pyscf_2017

 def test_from_chkfile(self):
     tmpfcidump = tempfile.NamedTemporaryFile()
     fcidump.from_chkfile(tmpfcidump.name, mf.chkfile, tol=1e-15)

Example #4

File: test_fcidump.py Project: y1xiaoc/pyscf

 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)