def run(h, bra, ket, python_out):
# aaa
#bra = Operator("bra", "cb b a kb j i")
#ket = Operator("ket", "id jd kbd ad bd cbd")
# aab
#bra = Operator("bra", "cb b a kb j i")
#ket = Operator("ket", "id jd kbd ad bd cbd")
# abb
#bra = Operator("bra", "cb bb a kb jb i")
#ket = Operator("ket", "id jbd kbd ad bbd cbd")
# bbb
#bra = Operator("bra", "cb bb ab kb jb ib")
#ket = Operator("ket", "ibd jbd kbd abd bbd cbd")
#bra = Operator("bra", "cb b a kb j i")
#ket = Operator("ket", "id jd kbd ad bd cbd")
fs = OperatorString(bra * h * ket)
root_node = Node(fs)
wicks(root_node)
# Pretty Print
#lines, _, _, _ = get_utf8_tree(root_node)
#for line in lines:
# print(line)
#print(root_node.right.right.right.right.left.data)
full = collect_fully_contracted(root_node)
#print(full)
#sys.exit()
new_eqs = []
new_weights = {}
if len(full) == 0:
return
for i, eq in enumerate(full):
evs = [x.evaluate() for x in eq.deltas]
if 0 in evs:
continue
mv = h.eval_deltas(eq.deltas)
#equiv = new_eqs_weights[key]
#print(equiv)
#print(eq.deltas)
#print(eq.sign * eq.weight, mv)
new_eqs.append((eq.sign * eq.weight, mv))
new_weights[mv] = eq.sign * eq.weight
terms = list(zip(*new_eqs))
if len(terms) > 0:
uniques = find_equiv(list(terms[1]))
print("==================================")
print(h)
print('----------------')
for cnt, term in uniques:
print(int(math.sqrt(cnt)) * new_weights[term], term)
w = int(math.sqrt(cnt)) * new_weights[term]
if w < 0:
str_out = "-" + term.to_python()[1]
else:
str_out = term.to_python()[1]
python_out.append(str_out)
print("==================================\n")
def run(h):
# aaa
bra = Operator("bra", "c b a k j i")
ket = Operator("ket", "id jd kd ad bd cd")
#bra = Operator("bra", "b a j i")
#bra = Operator("bra", "j b i a")
#bra = Operator("bra", "a3 a2 a1 i3 i2 i1")
#ket = Operator("ket", "i1d i2d i6d a1d a5d a6d")
#bra = Operator("bra", "a3 a2 a1 i3 i2 i1")
#ket = Operator("ket", "i1d i2d i6d a1d a5d a6d")
#ket = Operator("ket", "i1d i2d i3d a1d a2d a6d")
# aab
#bra = Operator("bra", "cb b a kb j i")
#ket = Operator("ket", "id jd kbd ad bd cbd")
# abb
#bra = Operator("bra", "cb bb a kb jb i")
#ket = Operator("ket", "id jbd kbd ad bbd cbd")
# bbb
#bra = Operator("bra", "cb bb ab kb jb ib")
#ket = Operator("ket", "ibd jbd kbd abd bbd cbd")
#bra = Operator("bra", "cb b a kb j i")
#ket = Operator("ket", "id jd kbd ad bd cbd")
for t in ts:
fs = OperatorString(bra * h * t * ket)
root_node = Node(fs)
wicks(root_node)
# Pretty Print
#lines, _, _, _ = get_utf8_tree(root_node)
#for line in lines:
# print(line)
#print(root_node.right.right.right.right.left.data)
#print(fs)
#root_node.print()
full = collect_fully_contracted(root_node)
#print(full)
#sys.exit()
new_eqs = []
new_weights = {}
if len(full) == 0:
continue
for i, eq in enumerate(full):
evs = [x.evaluate() for x in eq.deltas]
if 0 in evs:
continue
mv = h.eval_deltas(eq.deltas)
mt = t.eval_deltas(eq.deltas)
#equiv = new_eqs_weights[key]
#print(equiv)
#print(eq.deltas)
#print(eq.sign * eq.weight, mv)
new_eqs.append((eq.sign * eq.weight, mv, mt))
new_weights[(mv, mt)] = eq.sign * eq.weight
terms = list(zip(*new_eqs))
#print(terms)
if len(terms) > 0:
uniques = find_equiv(list(terms[1:]))
print("==================================")
print(h)
print('----------------')
for cnt, term in uniques:
print(int(math.sqrt(cnt)) * new_weights[term], term)
print("==================================\n")
ops = gen_fermi_onebody()
#ops = gen_fermi_twobody()
#ops = gen_fermi_threebody()
bra = Operator("bra", "c b a k j i")
ket = Operator("ket", "id jd kd ad bd dd")
#sys.exit()
for op in ops:
print('--------', op, '-----------')
fs = OperatorString(bra.string + op.string + ket.string)
root_node = Node(fs)
wicks(root_node)
full = collect_fully_contracted(root_node)
for eq in full:
evs = [kd.evaluate() for kd in eq[1]]
if 0 in evs:
continue
m = op.eval_deltas(eq[1])
print(eq[0], m)
print('--------------------------------')