def test_commutation():
n, m = symbols("n,m", above_fermi=True)
c = Commutator(B(0), Bd(0))
assert c == 1
c = Commutator(Bd(0), B(0))
assert c == -1
c = Commutator(B(n), Bd(0))
assert c == KroneckerDelta(n, 0)
c = Commutator(B(0), Bd(0))
e = simplify(apply_operators(c*BKet([n])))
assert e == BKet([n])
c = Commutator(B(0), B(1))
e = simplify(apply_operators(c*BKet([n, m])))
assert e == 0
c = Commutator(F(m), Fd(m))
assert c == +1 - 2*NO(Fd(m)*F(m))
c = Commutator(Fd(m), F(m))
assert c.expand() == -1 + 2*NO(Fd(m)*F(m))
C = Commutator
X, Y, Z = symbols('X,Y,Z', commutative=False)
assert C(C(X, Y), Z) != 0
assert C(C(X, Z), Y) != 0
assert C(Y, C(X, Z)) != 0
i, j, k, l = symbols('i,j,k,l', below_fermi=True)
a, b, c, d = symbols('a,b,c,d', above_fermi=True)
p, q, r, s = symbols('p,q,r,s')
D = KroneckerDelta
assert C(Fd(a), F(i)) == -2*NO(F(i)*Fd(a))
assert C(Fd(j), NO(Fd(a)*F(i))).doit(wicks=True) == -D(j, i)*Fd(a)
assert C(Fd(a)*F(i), Fd(b)*F(j)).doit(wicks=True) == 0
def test_commutation():
n, m = symbols("n,m", above_fermi=True)
c = Commutator(B(0), Bd(0))
assert c == 1
c = Commutator(Bd(0), B(0))
assert c == -1
c = Commutator(B(n), Bd(0))
assert c == KroneckerDelta(n, 0)
c = Commutator(B(0), Bd(0))
e = simplify(apply_operators(c * BKet([n])))
assert e == BKet([n])
c = Commutator(B(0), B(1))
e = simplify(apply_operators(c * BKet([n, m])))
assert e == 0
c = Commutator(F(m), Fd(m))
assert c == +1 - 2 * NO(Fd(m) * F(m))
c = Commutator(Fd(m), F(m))
assert c == -1 + 2 * NO(Fd(m) * F(m))
C = Commutator
X, Y, Z = symbols('X,Y,Z', commutative=False)
assert C(C(X, Y), Z) != 0
assert C(C(X, Z), Y) != 0
assert C(Y, C(X, Z)) != 0
i, j, k, l = symbols('i,j,k,l', below_fermi=True)
a, b, c, d = symbols('a,b,c,d', above_fermi=True)
p, q, r, s = symbols('p,q,r,s')
D = KroneckerDelta
assert C(Fd(a), F(i)) == -2 * NO(F(i) * Fd(a))
assert C(Fd(j), NO(Fd(a) * F(i))).doit(wicks=True) == -D(j, i) * Fd(a)
assert C(Fd(a) * F(i), Fd(b) * F(j)).doit(wicks=True) == 0
def test_factor_nc():
x, y = symbols('x,y')
k = symbols('k', integer=True)
n, m, o = symbols('n,m,o', commutative=False)
# mul and multinomial expansion is needed
from sympy.simplify.simplify import _mexpand
e = x * (1 + y)**2
assert _mexpand(e) == x + x * 2 * y + x * y**2
def factor_nc_test(e):
ex = _mexpand(e)
assert ex.is_Add
f = factor_nc(ex)
assert not f.is_Add and _mexpand(f) == ex
factor_nc_test(x * (1 + y))
factor_nc_test(n * (x + 1))
factor_nc_test(n * (x + m))
factor_nc_test((x + m) * n)
factor_nc_test(n * m * (x * o + n * o * m) * n)
s = Sum(x, (x, 1, 2))
factor_nc_test(x * (1 + s))
factor_nc_test(x * (1 + s) * s)
factor_nc_test(x * (1 + sin(s)))
factor_nc_test((1 + n)**2)
factor_nc_test((x + n) * (x + m) * (x + y))
factor_nc_test(x * (n * m + 1))
factor_nc_test(x * (n * m + x))
factor_nc_test(x * (x * n * m + 1))
factor_nc_test(x * n * (x * m + 1))
factor_nc_test(x * (m * n + x * n * m))
factor_nc_test(n * (1 - m) * n**2)
factor_nc_test((n + m)**2)
factor_nc_test((n - m) * (n + m)**2)
factor_nc_test((n + m)**2 * (n - m))
factor_nc_test((m - n) * (n + m)**2 * (n - m))
assert factor_nc(n * (n + n * m)) == n**2 * (1 + m)
assert factor_nc(m * (m * n + n * m * n**2)) == m * (m + n * m * n) * n
eq = m * sin(n) - sin(n) * m
assert factor_nc(eq) == eq
# for coverage:
from sympy.physics.secondquant import Commutator
from sympy import factor
eq = 1 + x * Commutator(m, n)
assert factor_nc(eq) == eq
eq = x * Commutator(m, n) + x * Commutator(m, o) * Commutator(m, n)
assert factor(eq) == x * (1 + Commutator(m, o)) * Commutator(m, n)
# issue 3435
assert (2 * n + 2 * m).factor() == 2 * (n + m)
# issue 3602
assert factor_nc(n**k + n**(k + 1)) == n**k * (1 + n)
assert factor_nc((m * n)**k + (m * n)**(k + 1)) == (1 + m * n) * (m * n)**k
def test_commutation():
n, m = symbols("n,m", above_fermi=True)
c = Commutator(B(0), Bd(0))
assert c == 1
c = Commutator(Bd(0), B(0))
assert c == -1
c = Commutator(B(n), Bd(0))
assert c == KroneckerDelta(n, 0)
c = Commutator(B(0), B(0))
assert c == 0
c = Commutator(B(0), Bd(0))
e = simplify(apply_operators(c * BKet([n])))
assert e == BKet([n])
c = Commutator(B(0), B(1))
e = simplify(apply_operators(c * BKet([n, m])))
assert e == 0
c = Commutator(F(m), Fd(m))
assert c == +1 - 2 * NO(Fd(m) * F(m))
c = Commutator(Fd(m), F(m))
assert c.expand() == -1 + 2 * NO(Fd(m) * F(m))
C = Commutator
X, Y, Z = symbols("X,Y,Z", commutative=False)
assert C(C(X, Y), Z) != 0
assert C(C(X, Z), Y) != 0
assert C(Y, C(X, Z)) != 0
i, j, k, l = symbols("i,j,k,l", below_fermi=True)
a, b, c, d = symbols("a,b,c,d", above_fermi=True)
p, q, r, s = symbols("p,q,r,s")
D = KroneckerDelta
assert C(Fd(a), F(i)) == -2 * NO(F(i) * Fd(a))
assert C(Fd(j), NO(Fd(a) * F(i))).doit(wicks=True) == -D(j, i) * Fd(a)
assert C(Fd(a) * F(i), Fd(b) * F(j)).doit(wicks=True) == 0
c1 = Commutator(F(a), Fd(a))
assert Commutator.eval(c1, c1) == 0
c = Commutator(Fd(a) * F(i), Fd(b) * F(j))
assert latex(c) == r"\left[a^\dagger_{a} a_{i},a^\dagger_{b} a_{j}\right]"
assert (
repr(c)
== "Commutator(CreateFermion(a)*AnnihilateFermion(i),CreateFermion(b)*AnnihilateFermion(j))"
)
assert (
str(c)
== "[CreateFermion(a)*AnnihilateFermion(i),CreateFermion(b)*AnnihilateFermion(j)]"
)
(
"rho^{a}_{i} = ",
(
symbols("p", below_fermi=True, cls=Dummy),
symbols("q", above_fermi=True, cls=Dummy),
),
),
("rho^{j}_{i} = ", symbols("p, q", below_fermi=True, cls=Dummy)),
]
for label, (p, q) in symbol_list:
c_pq = Fd(p) * F(q)
T = sum(get_ccsd_t_operators())
L = sum(get_ccsd_lambda_operators())
# Only keep non-zero terms
rho_eq = eval_equation(c_pq)
rho_eq += eval_equation(Commutator(c_pq, T))
rho_eq += eval_equation(L * c_pq)
comm = Commutator(c_pq, T)
rho_eq += eval_equation(L * comm)
comm = Commutator(comm, sum(get_ccsd_t_operators()))
rho_eq += Rational(1, 2) * eval_equation(L * comm)
rho = rho_eq.expand()
rho = evaluate_deltas(rho)
rho = substitute_dummies(rho, **sub_kwargs)
print(label + latex(rho))
def test_commutation():
n, m = symbols("n,m", above_fermi=True)
c = Commutator(B(0), Bd(0))
assert c == 1
c = Commutator(Bd(0), B(0))
assert c == -1
c = Commutator(B(n), Bd(0))
assert c == KroneckerDelta(n, 0)
c = Commutator(B(0), B(0))
assert c == 0
c = Commutator(B(0), Bd(0))
e = simplify(apply_operators(c*BKet([n])))
assert e == BKet([n])
c = Commutator(B(0), B(1))
e = simplify(apply_operators(c*BKet([n, m])))
assert e == 0
c = Commutator(F(m), Fd(m))
assert c == +1 - 2*NO(Fd(m)*F(m))
c = Commutator(Fd(m), F(m))
assert c.expand() == -1 + 2*NO(Fd(m)*F(m))
C = Commutator
X, Y, Z = symbols('X,Y,Z', commutative=False)
assert C(C(X, Y), Z) != 0
assert C(C(X, Z), Y) != 0
assert C(Y, C(X, Z)) != 0
i, j, k, l = symbols('i,j,k,l', below_fermi=True)
a, b, c, d = symbols('a,b,c,d', above_fermi=True)
p, q, r, s = symbols('p,q,r,s')
D = KroneckerDelta
assert C(Fd(a), F(i)) == -2*NO(F(i)*Fd(a))
assert C(Fd(j), NO(Fd(a)*F(i))).doit(wicks=True) == -D(j, i)*Fd(a)
assert C(Fd(a)*F(i), Fd(b)*F(j)).doit(wicks=True) == 0
c1 = Commutator(F(a), Fd(a))
assert Commutator.eval(c1, c1) == 0
c = Commutator(Fd(a)*F(i),Fd(b)*F(j))
assert latex(c) == r'\left[a^\dagger_{a} a_{i},a^\dagger_{b} a_{j}\right]'
assert repr(c) == 'Commutator(CreateFermion(a)*AnnihilateFermion(i),CreateFermion(b)*AnnihilateFermion(j))'
assert str(c) == '[CreateFermion(a)*AnnihilateFermion(i),CreateFermion(b)*AnnihilateFermion(j)]'
def test_issue_19661():
a = Symbol('0')
assert latex(Commutator(
Bd(a)**2, B(a))) == '- \\left[b_{0},{b^\\dagger_{0}}^{2}\\right]'