Python Sijr Examples

Programming Language: Python

Namespace/Package Name: pyscf.mrpt.nevpt2

Method/Function: Sijr

Examples at hotexamples.com: 2

Python Sijr - 2 examples found. These are the top rated real world Python examples of pyscf.mrpt.nevpt2.Sijr extracted from open source projects. You can rate examples to help us improve the quality of examples.

Example #1

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File: test_nevpt2.py Project: v3op01/pyscf

 def test_Sijr(self):
     norm, e = nevpt2.Sijr(mc, dms, eris)
     self.assertAlmostEqual(e, -0.0050340133565470449, 7)
     self.assertAlmostEqual(norm, 0.012664066951786257, 7)

Example #2

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File: test_nevpt2.py Project: verena-neufeld/pyscf

 def test_Sijr(self):
     norm, e = nevpt2.Sijr(mc, dms, eris)
     self.assertAlmostEqual(e, -0.0050346117, delta=1.0e-6)
     self.assertAlmostEqual(norm, 0.012664066951786257, delta=1.0e-7)