示例#1
0
 def test_uintermediats(self):
     from pyscf.cc import uintermediates
     self.assertTrue(eris.get_ovvv().ndim == 4)
     self.assertTrue(eris.get_ovVV().ndim == 4)
     self.assertTrue(eris.get_OVvv().ndim == 4)
     self.assertTrue(eris.get_OVVV().ndim == 4)
     self.assertTrue(eris.get_ovvv(slice(None), slice(2, 4)).ndim == 4)
     self.assertTrue(eris.get_ovVV(slice(None), slice(2, 4)).ndim == 4)
     self.assertTrue(eris.get_OVvv(slice(None), slice(2, 4)).ndim == 4)
     self.assertTrue(eris.get_OVVV(slice(None), slice(2, 4)).ndim == 4)
     self.assertTrue(uintermediates._get_vvvv(eris).ndim == 4)
     self.assertTrue(uintermediates._get_vvVV(eris).ndim == 4)
     self.assertTrue(uintermediates._get_VVVV(eris).ndim == 4)
示例#2
0
文件: test_uccsd.py 项目: sunqm/pyscf
 def test_uintermediats(self):
     from pyscf.cc import uintermediates
     self.assertTrue(eris.get_ovvv().ndim == 4)
     self.assertTrue(eris.get_ovVV().ndim == 4)
     self.assertTrue(eris.get_OVvv().ndim == 4)
     self.assertTrue(eris.get_OVVV().ndim == 4)
     self.assertTrue(eris.get_ovvv(slice(None), slice(2,4)).ndim == 4)
     self.assertTrue(eris.get_ovVV(slice(None), slice(2,4)).ndim == 4)
     self.assertTrue(eris.get_OVvv(slice(None), slice(2,4)).ndim == 4)
     self.assertTrue(eris.get_OVVV(slice(None), slice(2,4)).ndim == 4)
     self.assertTrue(uintermediates._get_vvvv(eris).ndim == 4)
     self.assertTrue(uintermediates._get_vvVV(eris).ndim == 4)
     self.assertTrue(uintermediates._get_VVVV(eris).ndim == 4)