Exemplos de SecondQuantizedOperator.exist_permute_format em Python

Exemplo n.º 1

Arquivo: test_sqop.py Projeto: lcyyork/dsrg_generator

def test_multiset_permutation_5():
    # n_multiset_permutation for spin-adapted operators is always one
    a = SecondQuantizedOperator("g0,v1,p2", "p0,a1,c2", 'spin-adapted')
    p_cre = [[Index('g0'), Index('v1'), Index('p2')]]
    p_ann = [[Index('p0')], [Index('a1')], [Index('c2')]]
    assert not a.exist_permute_format(p_cre, p_ann)
    assert a.n_multiset_permutation(p_cre, p_ann) == 1

Exemplo n.º 2

Arquivo: test_sqop.py Projeto: lcyyork/dsrg_generator

def test_multiset_permutation_2():
    a = SecondQuantizedOperator("g0,g1,g2", "p0,p1,p2", 'spin-integrated')
    p_cre = [[Index(i) for i in "g0,g1,g2".split(',')]]
    p_ann = [[Index('p0')], [Index('p1')], [Index('p2')]]
    assert a.exist_permute_format(p_cre, p_ann)
    assert a.n_multiset_permutation(p_cre, p_ann) == 6

    p_ann = [[Index('p0'), Index('p1')], [Index('p2')]]
    assert a.n_multiset_permutation(p_cre, p_ann) == 3

Exemplo n.º 3

Arquivo: test_sqop.py Projeto: lcyyork/dsrg_generator

def test_multiset_permutation_4():
    a = SecondQuantizedOperator("g0,v1,p2", "p0,a1,c2", 'spin-orbital')
    p_cre = [[Index('g0'), Index('v1'), Index('p2')]]
    p_ann = [[Index('p0'), Index('a1'), Index('c2')]]
    assert not a.exist_permute_format(p_cre, p_ann)
    assert a.n_multiset_permutation(p_cre, p_ann) == 1

Exemplo n.º 4

Arquivo: test_sqop.py Projeto: lcyyork/dsrg_generator

def test_multiset_permutation_3():
    a = SecondQuantizedOperator("g0,v1,p2", "p0,a1,p2", 'spin-integrated')
    p_cre = [[Index('g0')], [Index('v1')], [Index('p2')]]
    p_ann = [[Index('p0'), Index('p2')], [Index('a1')]]
    assert a.exist_permute_format(p_cre, p_ann)
    assert a.n_multiset_permutation(p_cre, p_ann) == 18

Exemplo n.º 5

Arquivo: test_sqop.py Projeto: lcyyork/dsrg_generator

def test_multiset_permutation_1():
    a = SecondQuantizedOperator("g0,g1,g2", "p0,p1,p2", 'spin-orbital')
    p_cre = [[Index(i) for i in "g0,g1,g2".split(',')]]
    p_ann = [[Index(i) for i in "p0,p1,p2".split(',')]]
    assert not a.exist_permute_format(p_cre, p_ann)
    assert a.n_multiset_permutation(p_cre, p_ann) == 1