def test_simplify():
list_of_tensors = [
make_tensor('H', "g0", "g0"),
make_tensor('t', "h0", "p0"),
make_tensor('t', "p1", "h1"),
make_tensor('L', 'h0', 'g0'),
make_tensor('L', 'g0, p1', 'p0, h1')
]
a = Term(list_of_tensors, SecondQuantizedOperator.make_empty(), -1)
a.simplify()
assert a.is_void()
list_of_tensors = [
make_tensor('H', "g0", "g0"),
make_tensor('t', "h0", "p0"),
make_tensor('t', "p1", "h1"),
make_tensor('L', 'g0', 'h1'),
make_tensor('L', 'h0', 'g0'),
make_tensor('K', 'p0', 'p1')
]
a = Term(list_of_tensors, SecondQuantizedOperator.make_empty())
a.simplify()
assert a.list_of_tensors == [
make_tensor('H', 'h6', 'h6'),
make_tensor('t', 'p1', 'h3'),
make_tensor('t', 'h4', 'p1'),
make_tensor('L', 'h6', 'h3'),
make_tensor('L', 'h4', 'h6')
]
assert a.sq_op == SecondQuantizedOperator.make_empty()
assert a.indices_set == {Index(i) for i in ['h6', 'p1', 'h3', 'h4']}
assert a.diagonal_indices == {Index('h6'): 4}
list_of_tensors = [
make_tensor('H', "g0", "g0"),
make_tensor('t', "h0", "p0"),
make_tensor('t', "p1", "c1"),
make_tensor('L', 'g0', 'c1'),
make_tensor('K', 'p0', 'p1')
]
a = Term(list_of_tensors, SecondQuantizedOperator('h0', 'g0'))
a.simplify()
assert a.list_of_tensors == [
make_tensor('H', "c2", "c2"),
make_tensor('t', "p1", "c2"),
make_tensor('t', "h0", "p1")
]
assert a.sq_op == SecondQuantizedOperator('h0', 'c2')
assert a.indices_set == {Index(i) for i in ['c2', 'p1', 'h0']}
assert a.diagonal_indices == {Index('c2'): 4}
def test_void():
a = Term([make_tensor('H', 'g0, h1', 'g0, p1')],
make_sq('g0, p1', 'g0, h1'), 0.0)
assert a.is_void()
b = a.void()
assert b.is_void()
assert b is not a
assert b != a
c = Term.make_empty('so')
assert b == c
a.void_self()
assert a == b