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Commit 366ad5e2 authored by Jacob August Davison's avatar Jacob August Davison
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occ tensors are computed from TT decompositions

parent 6a811870
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main.py
View file @ 366ad5e2
......@@ -61,11 +61,11 @@ def derivative(t, y, hamiltonian, occ_tensors, generator, flow):
E, f, G = ravel(y, hamiltonian.n_sp_states)
# timefi = time.time()
generator.f = tn.Node(f)
generator.f = f
# timeff = time.time()
# timegi = time.time()
generator.G = tn.Node(G)
generator.G = G
# timegf = time.time()
# timefli = time.time()
......@@ -78,7 +78,7 @@ def derivative(t, y, hamiltonian, occ_tensors, generator, flow):
# Flow time: {:2.4f} s
# """.format(timeff-timefi, timegf-timegi, timeflf-timefli))
dy = unravel(dE.tensor, df.tensor, dG.tensor)
dy = unravel(dE, df, dG)
return dy
......@@ -162,8 +162,8 @@ def main(n_holes, n_particles, ref=None, d=1.0, g=0.5, pb=0.0):
flowi = time.time()
# --- Solve the IM-SRG flow
y0 = unravel(ha.E.tensor, ha.f.tensor, ha.G.tensor)
#print(y0)
y0 = unravel(ha.E, ha.f, ha.G)
solver = ode(derivative,jac=None)
solver.set_integrator('vode', method='bdf', order=5, nsteps=500)
solver.set_f_params(ha, ot, wg, fl)
......
oop_imsrg/flow.py
View file @ 366ad5e2
......@@ -73,13 +73,13 @@ class Flow_IMSRG2(Flow):
# f = self.f
# G = self.G
f = gen.f#.astype(np.float32)
G = gen.G#.astype(np.float32)
f = gen.f.astype(np.float32)
G = gen.G.astype(np.float32)
partition = gen.calc_eta()
eta1B = partition[0]#.astype(np.float32)
eta2B = partition[1]#.astype(np.float32)
# occA = occ_t.occA
# occB = occ_t.occB
# occC = occ_t.occC
......@@ -99,18 +99,17 @@ class Flow_IMSRG2(Flow):
# second term
#print(occD.shape)
#sum2_0b = tn.ncon([eta2B, occD, G], [(5,6,7,8), (5,6,7,8,1,2,3,4), (3,4,1,2)])#.numpy()
sum2_0b_1 = np.multiply(eta2B, occD)
sum2_0b_1 = np.multiply(eta2B, occD.tensor)
#sum2_0b_1 = tn.ncon([eta2B, occD],[(-1,-2,1,2),(-3,-4,1,2)])
sum2_0b = tn.ncon([sum2_0b_1, G], [(1, 2, 3, 4), (3, 4, 1, 2)])#.numpy()
dE = sum1_0b + tn.Node(0.5)*sum2_0b
dE = sum1_0b + 0.5*sum2_0b
# - Calculate df/ds
# first term
sum1_1b_1 = tn.ncon([eta1B, f], [(-1, 1), (1, -2)])#.numpy()
sum1_1b_2 = tn.transpose(sum1_1b_1, [1,0])
sum1_1b_2 = np.transpose(sum1_1b_1)
sum1_1b = sum1_1b_1 + sum1_1b_2
# second term (might need to fix)
......@@ -124,13 +123,13 @@ class Flow_IMSRG2(Flow):
# third term
sum3_1b_1 = tn.ncon([eta2B, occC, G], [(6,-1,4,5), (4,5,6,1,2,3), (1,2,3,-2)])#.numpy()
sum3_1b = sum3_1b_1 + tn.transpose(sum3_1b_1, [1,0])
sum3_1b = sum3_1b_1 + np.transpose(sum3_1b_1)
# sum3_1b_1 = tn.ncon([occC, G], [(-1, -2, -3, 0, 1, 2), (0, 1, 2, -4)])#.numpy()
# sum3_1b_2 = tn.ncon([eta2B, sum3_1b_1], [(2, -1, 0, 1), (0, 1, 2, -2)])#.numpy()
# sum3_1b_3 = np.transpose(sum3_1b_2)
# sum3_1b = sum3_1b_2 + sum3_1b_3
df = sum1_1b + sum2_1b + tn.Node(0.5)*sum3_1b
df = sum1_1b + sum2_1b + 0.5*sum3_1b
# - Calculate dG/ds
......@@ -138,14 +137,14 @@ class Flow_IMSRG2(Flow):
sum1_2b_1 = tn.ncon([eta1B, G], [(-1, 1), (1, -2, -3, -4)])#.numpy()
sum1_2b_2 = tn.ncon([f, eta2B], [(-1, 1), (1, -2, -3, -4)])#.numpy()
sum1_2b_3 = sum1_2b_1 - sum1_2b_2
sum1_2b_4 = tn.transpose(sum1_2b_3, [1, 0, 2, 3])
sum1_2b_4 = np.transpose(sum1_2b_3, [1, 0, 2, 3])
sum1_2b_5 = sum1_2b_3 - sum1_2b_4
# first term (P_kl piece)
sum1_2b_6 = tn.ncon([eta1B, G], [(1, -3), (-1, -2, 1, -4)])#.numpy()
sum1_2b_7 = tn.ncon([f, eta2B], [(1, -3), (-1, -2, 1, -4)])#.numpy()
sum1_2b_8 = sum1_2b_6 - sum1_2b_7
sum1_2b_9 = tn.transpose(sum1_2b_8, [0, 1, 3, 2])
sum1_2b_9 = np.transpose(sum1_2b_8, [0, 1, 3, 2])
sum1_2b_10 = sum1_2b_8 - sum1_2b_9
sum1_2b = sum1_2b_5 - sum1_2b_10
......@@ -177,8 +176,8 @@ class Flow_IMSRG2(Flow):
# third term
sum3_2b_1 = tn.ncon([eta2B, occA, G], [(3,-1,4,-3), (3,4,1,2), (2,-2,1,-4)])#.numpy()
sum3_2b_2 = sum3_2b_1 - tn.transpose(sum3_2b_1, [0,1,3,2])
sum3_2b = sum3_2b_2 - tn.transpose(sum3_2b_2, [1,0,2,3])
sum3_2b_2 = sum3_2b_1 - np.transpose(sum3_2b_1, [0,1,3,2])
sum3_2b = sum3_2b_2 - np.transpose(sum3_2b_2, [1,0,2,3])
# sum3_2b_1 = tn.ncon([eta2B, G], [(0, -1, 1, -3), (1, -2, 0, -4)])#.numpy()
# sum3_2b_2 = np.transpose(sum3_2b_1, [1, 0, 2, 3])
# sum3_2b_3 = np.transpose(sum3_2b_1, [0, 1, 3, 2])
......@@ -186,7 +185,7 @@ class Flow_IMSRG2(Flow):
# sum3_2b_5 = sum3_2b_1 - sum3_2b_2 - sum3_2b_3 + sum3_2b_4
# sum3_2b = tn.ncon([occA, sum3_2b_5], [(0, 1, -1, -2), (0, 1, -3, -4)])#.numpy()
dG = sum1_2b + tn.Node(0.5)*sum2_2b + sum3_2b
dG = sum1_2b + 0.5*sum2_2b + sum3_2b
return (dE, df, dG)
......@@ -273,8 +272,8 @@ class Flow_IMSRG3(Flow_IMSRG2):
# Calculate 1B flow equation
# fourth term
sum4_1b_1 = np.matmul(tn.transpose(occD,[2,3,0,1]), G)
sum4_1b_2 = np.matmul(tn.transpose(occD,[2,3,0,1]), eta2B)
sum4_1b_1 = np.matmul(np.transpose(occD,[2,3,0,1]), G)
sum4_1b_2 = np.matmul(np.transpose(occD,[2,3,0,1]), eta2B)
sum4_1b_3 = tn.ncon([eta3B, sum4_1b_1], [(1,2,-1,3,4,-2),(3,4,1,2)])#.numpy()
sum4_1b_4 = tn.ncon([W, sum4_1b_2], [(1,2,-1,3,4,-2),(3,4,1,2)])#.numpy()
sum4_1b = sum4_1b_3 - sum4_1b_4
......@@ -302,8 +301,8 @@ class Flow_IMSRG3(Flow_IMSRG2):
# Calculate 2B flow equation
# fourth term
sum4_2b_1 = np.matmul(-1.0*tn.transpose(occA2), f)
sum4_2b_2 = np.matmul(-1.0*tn.transpose(occA2), eta1B)
sum4_2b_1 = np.matmul(-1.0*np.transpose(occA2), f)
sum4_2b_2 = np.matmul(-1.0*np.transpose(occA2), eta1B)
sum4_2b_3 = tn.ncon([eta3B, sum4_2b_1], [(1,-1,-2,2,-3,-4), (2,1)])#.numpy()
sum4_2b_4 = tn.ncon([W, sum4_2b_2], [(1,-1,-2,2,-3,-4), (2,1)])#.numpy()
sum4_2b = sum4_2b_3 - sum4_2b_4
......@@ -316,9 +315,9 @@ class Flow_IMSRG3(Flow_IMSRG2):
(4,5,6,1,2,3),
(2,3,1,-3)])#.numpy()
sum5_2b = sum5_2b_2 - tn.transpose(sum5_2b_2, [3,2,0,1]) - \
tn.transpose(sum5_2b_2, [0,1,3,2]) + \
tn.transpose(sum5_2b_2, [2,3,0,1])
sum5_2b = sum5_2b_2 - np.transpose(sum5_2b_2, [3,2,0,1]) - \
np.transpose(sum5_2b_2, [0,1,3,2]) + \
np.transpose(sum5_2b_2, [2,3,0,1])
# sum5_2b_1 = tn.ncon([occG, G], [(-1,-2,-4,0,1,2), (1,2,0,-3)])#.numpy()
# sum5_2b_2 = tn.ncon([occG, eta2B], [(-1,-2,-4,0,1,2), (1,2,0,-3)])#.numpy()
......@@ -348,9 +347,9 @@ class Flow_IMSRG3(Flow_IMSRG2):
sum7_2b_1 = tn.ncon([eta3B, occI, W], [(5,6,-1,7,8,-4),
(5,6,7,8,1,2,3,4),
(3,4,-2,1,2,-3)])#.numpy()
sum7_2b = sum7_2b_1 - tn.transpose(sum7_2b_1,[1,0,2,3]) - \
tn.transpose(sum7_2b_1,[0,1,3,2]) + \
tn.transpose(sum7_2b_1,[1,0,3,2])
sum7_2b = sum7_2b_1 - np.transpose(sum7_2b_1,[1,0,2,3]) - \
np.transpose(sum7_2b_1,[0,1,3,2]) + \
np.transpose(sum7_2b_1,[1,0,3,2])
# sum7_2b_1 = tn.ncon([occI, W], [(-1,-2,-3,-4,0,1,2,3), (2,3,-5,0,1,-6)])#.numpy()
# sum7_2b_2 = tn.ncon([eta3B, sum7_2b_1], [(0,1,-1,2,3,-4),(2,3,-2,0,1,-3)])#.numpy()
......@@ -367,24 +366,24 @@ class Flow_IMSRG3(Flow_IMSRG2):
sum1_3b_1 = tn.ncon([eta1B, W], [(-1,1), (1,-2,-3,-4,-5,-6)])#.numpy()
sum1_3b_2 = tn.ncon([f, eta3B], [(-1,1), (1,-2,-3,-4,-5,-6)])#.numpy()
sum1_3b_3 = sum1_3b_1 - sum1_3b_2
sum1_3b_4 = sum1_3b_3 - tn.transpose(sum1_3b_3, [1,0,2,3,4,5]) - \
tn.transpose(sum1_3b_3, [2,1,0,3,4,5])
sum1_3b_4 = sum1_3b_3 - np.transpose(sum1_3b_3, [1,0,2,3,4,5]) - \
np.transpose(sum1_3b_3, [2,1,0,3,4,5])
#terms with P(l/mn) -- line 1 and 2
sum1_3b_5 = tn.ncon([eta1B, W], [(1,-4), (-1,-2,-3,1,-5,-6)])#.numpy()
sum1_3b_6 = tn.ncon([f, eta3B], [(1,-4), (-1,-2,-3,1,-5,-6)])#.numpy()
sum1_3b_7 = sum1_3b_6 - sum1_3b_5
sum1_3b_8 = sum1_3b_7 - tn.transpose(sum1_3b_7, [0,1,2,4,3,5]) - \
tn.transpose(sum1_3b_7, [0,1,2,5,4,3])
sum1_3b_8 = sum1_3b_7 - np.transpose(sum1_3b_7, [0,1,2,4,3,5]) - \
np.transpose(sum1_3b_7, [0,1,2,5,4,3])
#terms with P(ij/k)P(l/mn) -- line 3
sum1_3b_9 = tn.ncon([eta2B, G], [(-1,-2,-4,1),(1,-3,-5,-6)])
sum1_3b_10 = tn.ncon([G, eta2B], [(-1,-2,-4,1),(1,-3,-5,-6)])
sum1_3b_11 = sum1_3b_9 - sum1_3b_10
sum1_3b_12 = sum1_3b_11 - tn.transpose(sum1_3b_11, [0,1,2,4,3,5]) - \
tn.transpose(sum1_3b_11, [0,1,2,5,4,3])
sum1_3b_13 = sum1_3b_12 - tn.transpose(sum1_3b_12, [2,1,0,3,4,5]) - \
tn.transpose(sum1_3b_12, [0,2,1,3,4,5])
sum1_3b_12 = sum1_3b_11 - np.transpose(sum1_3b_11, [0,1,2,4,3,5]) - \
np.transpose(sum1_3b_11, [0,1,2,5,4,3])
sum1_3b_13 = sum1_3b_12 - np.transpose(sum1_3b_12, [2,1,0,3,4,5]) - \
np.transpose(sum1_3b_12, [0,2,1,3,4,5])
sum1_3b = sum1_3b_4 + sum1_3b_8 + sum1_3b_13
......@@ -392,24 +391,24 @@ class Flow_IMSRG3(Flow_IMSRG2):
sum4_3b_1 = tn.ncon([eta2B, occB, W], [(-1,-2,3,4),(3,4,1,2),(1,2,-3,-4,-5,-6)])#.numpy()
sum4_3b_2 = tn.ncon([G, occB, eta3B], [(-1,-2,3,4),(3,4,1,2),(1,2,-3,-4,-5,-6)])#.numpy()
sum4_3b_3 = sum4_3b_1 - sum4_3b_2
sum4_3b = sum4_3b_3 - tn.transpose(sum4_3b_3, [1,0,2,3,4,5]) - \
tn.transpose(sum4_3b_3, [2,1,0,3,4,5])
sum4_3b = sum4_3b_3 - np.transpose(sum4_3b_3, [1,0,2,3,4,5]) - \
np.transpose(sum4_3b_3, [2,1,0,3,4,5])
#fifth term
sum5_3b_1 = tn.ncon([eta2B, occB, W], [(3,4,-4,-5),(3,4,1,2),(-1,-2,-3,1,2,-6)])#.numpy()
sum5_3b_2 = tn.ncon([G, occB, eta3B], [(3,4,-4,-5),(3,4,1,2),(-1,-2,-3,1,2,-6)])#.numpy()
sum5_3b_3 = sum5_3b_1 - sum5_3b_2
sum5_3b = sum5_3b_3 - tn.transpose(sum5_3b_3, [0,1,2,5,4,3]) - \
tn.transpose(sum5_3b_3, [0,1,2,3,5,4])
sum5_3b = sum5_3b_3 - np.transpose(sum5_3b_3, [0,1,2,5,4,3]) - \
np.transpose(sum5_3b_3, [0,1,2,3,5,4])
#sixth term
sum6_3b_1 = tn.ncon([eta2B, occA, W], [(4,-1,3,-4),(3,4,1,2),(1,-2,-3,2,-5,-6)])#.numpy()
sum6_3b_2 = tn.ncon([G, occA, eta3B], [(4,-1,3,-4),(3,4,1,2),(1,-2,-3,2,-5,-6)])#.numpy()
sum6_3b_3 = sum6_3b_1 - sum6_3b_2
sum6_3b_4 = sum6_3b_3 - tn.transpose(sum6_3b_3, [0,1,2,4,3,5]) - \
tn.transpose(sum6_3b_3, [0,1,2,5,4,3])
sum6_3b = sum6_3b_4 - tn.transpose(sum6_3b_4, [1,0,2,3,4,5]) - \
tn.transpose(sum6_3b_4, [2,1,0,3,4,5])
sum6_3b_4 = sum6_3b_3 - np.transpose(sum6_3b_3, [0,1,2,4,3,5]) - \
np.transpose(sum6_3b_3, [0,1,2,5,4,3])
sum6_3b = sum6_3b_4 - np.transpose(sum6_3b_4, [1,0,2,3,4,5]) - \
np.transpose(sum6_3b_4, [2,1,0,3,4,5])
#seventh term
sum7_3b_1 = tn.ncon([eta3B, occJ, W], [(-1,-2,-3,4,5,6), (4,5,6,1,2,3), (1,2,3,-4,-5,-6)])#.numpy()
......@@ -420,10 +419,10 @@ class Flow_IMSRG3(Flow_IMSRG2):
sum8_3b_1 = tn.ncon([eta3B, occC, W], [(4,5,-3,6,-5,-6), (4,5,6,1,2,3), (3,-1,-2,1,2,-4)])#.numpy()
sum8_3b_2 = tn.ncon([eta3B, occC, W], [(6,-2,-3,4,5,-6), (4,5,6,1,2,3), (-1,1,2,-4,-5,3)])#.numpy()
sum8_3b_3 = sum8_3b_1 - sum8_3b_2
sum8_3b_4 = sum8_3b_3 - tn.transpose(sum8_3b_3, [0,1,2,4,3,5]) - \
tn.transpose(sum8_3b_3, [0,1,2,5,4,3])
sum8_3b = sum8_3b_4 - tn.transpose(sum8_3b_4, [2,1,0,3,4,5]) - \
tn.transpose(sum8_3b_4, [0,2,1,3,4,5])
sum8_3b_4 = sum8_3b_3 - np.transpose(sum8_3b_3, [0,1,2,4,3,5]) - \
np.transpose(sum8_3b_3, [0,1,2,5,4,3])
sum8_3b = sum8_3b_4 - np.transpose(sum8_3b_4, [2,1,0,3,4,5]) - \
np.transpose(sum8_3b_4, [0,2,1,3,4,5])
dW = sum1_3b + 0.5*sum4_3b + (-0.5)*sum5_3b + (-1.0)*sum6_3b + (1/6)*sum7_3b + 0.5*sum8_3b
......
oop_imsrg/generator.py
View file @ 366ad5e2
......@@ -31,6 +31,7 @@ class WegnerGenerator(Generator):
self.f = h.f
self.G = h.G
self._holes = h.holes
self._particles = h.particles
......@@ -83,16 +84,16 @@ class WegnerGenerator(Generator):
# - Decouple off-diagonal 1B and 2B pieces
fod = np.zeros(f.shape, dtype=np.float32)
fod[np.ix_(particles, holes)] += f.tensor[np.ix_(particles, holes)]
fod[np.ix_(holes, particles)] += f.tensor[np.ix_(holes, particles)]
fd = f.tensor - fod
fod[np.ix_(particles, holes)] += f[np.ix_(particles, holes)]
fod[np.ix_(holes, particles)] += f[np.ix_(holes, particles)]
fd = f - fod
God = np.zeros(G.shape, dtype=np.float32)
God[np.ix_(particles, particles, holes, holes)] += G.tensor[np.ix_(particles, particles, holes, holes)]
God[np.ix_(holes, holes, particles, particles)] += G.tensor[np.ix_(holes, holes, particles, particles)]
Gd = G.tensor - God
God[np.ix_(particles, particles, holes, holes)] += G[np.ix_(particles, particles, holes, holes)]
God[np.ix_(holes, holes, particles, particles)] += G[np.ix_(holes, holes, particles, particles)]
Gd = G - God
return (tn.Node(fd), tn.Node(fod), tn.Node(Gd), tn.Node(God))
return (fd, fod, Gd, God)
# @classmethod
def calc_eta(self):
......@@ -106,10 +107,10 @@ class WegnerGenerator(Generator):
eta2B) -- two-body generator"""
partition = self.decouple_OD()
fd = partition[0]#.astype(np.float32)
fod = partition[1]#.astype(np.float32)
Gd = partition[2]#.astype(np.float32)
God = partition[3]#.astype(np.float32)
fd = partition[0].astype(np.float32)
fod = partition[1].astype(np.float32)
Gd = partition[2].astype(np.float32)
God = partition[3].astype(np.float32)
holes = self._holes
particles = self._particles
......@@ -122,7 +123,7 @@ class WegnerGenerator(Generator):
# - Calculate 1B generator
# first term
sum1_1b_1 = tn.ncon([fd, fod], [(-1, 1), (1, -2)])#.numpy()
sum1_1b_2 = tn.transpose(sum1_1b_1, [1,0])
sum1_1b_2 = np.transpose(sum1_1b_1)
sum1_1b = sum1_1b_1 - sum1_1b_2
# second term
......@@ -136,27 +137,27 @@ class WegnerGenerator(Generator):
# third term
sum3_1b_1 = tn.ncon([Gd, occC, God], [(6,-1,4,5), (4,5,6,1,2,3), (1,2,3,-2)])#.numpy()
sum3_1b = sum3_1b_1 - tn.transpose(sum3_1b_1, [1,0])
sum3_1b = sum3_1b_1 - np.transpose(sum3_1b_1)
# sum3_1b_1 = tn.ncon([occC, God], [(-1, -2, -3, 0, 1, 2), (0, 1, 2, -4)])#.numpy()
# sum3_1b_2 = tn.ncon([Gd, sum3_1b_1], [(2, -1, 0, 1), (0, 1, 2, -2)])#.numpy()
# sum3_1b_3 = np.transpose(sum3_1b_2)
# sum3_1b = sum3_1b_2 - sum3_1b_3
eta1B = sum1_1b + sum2_1b + tn.Node(0.5)*sum3_1b
eta1B = sum1_1b + sum2_1b + 0.5*sum3_1b
# - Calculate 2B generator
# first term (P_ij piece)
sum1_2b_1 = tn.ncon([fd, God], [(-1, 1), (1, -2, -3, -4)])#.numpy()
sum1_2b_2 = tn.ncon([fod, Gd], [(-1, 1), (1, -2, -3, -4)])#.numpy()
sum1_2b_3 = sum1_2b_1 - sum1_2b_2
sum1_2b_4 = tn.transpose(sum1_2b_3, [1, 0, 2, 3])
sum1_2b_4 = np.transpose(sum1_2b_3, [1, 0, 2, 3])
sum1_2b_5 = sum1_2b_3 - sum1_2b_4
# first term (P_kl piece)
sum1_2b_6 = tn.ncon([fd, God], [(1, -3), (-1, -2, 1, -4)])#.numpy()
sum1_2b_7 = tn.ncon([fod, Gd], [(1, -3), (-1, -2, 1, -4)])#.numpy()
sum1_2b_8 = sum1_2b_6 - sum1_2b_7
sum1_2b_9 = tn.transpose(sum1_2b_8, [0, 1, 3, 2])
sum1_2b_9 = np.transpose(sum1_2b_8, [0, 1, 3, 2])
sum1_2b_10 = sum1_2b_8 - sum1_2b_9
sum1_2b = sum1_2b_5 - sum1_2b_10
......@@ -180,8 +181,8 @@ class WegnerGenerator(Generator):
# third term
sum3_2b_1 = tn.ncon([Gd, occA, God], [(3,-1,4,-3), (3,4,1,2), (2,-2,1,-4)])#.numpy()
sum3_2b_2 = sum3_2b_1 - tn.transpose(sum3_2b_1, [0,1,3,2])
sum3_2b = sum3_2b_2 - tn.transpose(sum3_2b_2, [1,0,2,3])
sum3_2b_2 = sum3_2b_1 - np.transpose(sum3_2b_1, [0,1,3,2])
sum3_2b = sum3_2b_2 - np.transpose(sum3_2b_2, [1,0,2,3])
# sum3_2b_1 = tn.ncon([Gd, God], [(0, -1, 1, -3), (1, -2, 0, -4)])#.numpy()
# sum3_2b_2 = np.transpose(sum3_2b_1, [1, 0, 2, 3])
# sum3_2b_3 = np.transpose(sum3_2b_1, [0, 1, 3, 2])
......@@ -189,7 +190,7 @@ class WegnerGenerator(Generator):
# sum3_2b_5 = sum3_2b_1 - sum3_2b_2 - sum3_2b_3 + sum3_2b_4
# sum3_2b = tn.ncon([occA, sum3_2b_5], [(0, 1, -1, -2), (0, 1, -3, -4)])#.numpy()
eta2B = sum1_2b + tn.Node(0.5)*sum2_2b + sum3_2b
eta2B = sum1_2b + 0.5*sum2_2b + sum3_2b
return (eta1B, eta2B)
......@@ -314,8 +315,8 @@ class WegnerGenerator3B(WegnerGenerator):
# Calculate 1B generator
# fourth term
sum4_1b_1 = np.matmul(tn.transpose(occD,[2,3,0,1]), God)
sum4_1b_2 = np.matmul(tn.transpose(occD,[2,3,0,1]), Gd)
sum4_1b_1 = np.matmul(np.transpose(occD,[2,3,0,1]), God)
sum4_1b_2 = np.matmul(np.transpose(occD,[2,3,0,1]), Gd)
sum4_1b_3 = tn.ncon([Wd, sum4_1b_1], [(1,2,-1,3,4,-2),(3,4,1,2)])#.numpy()
sum4_1b_4 = tn.ncon([Wod, sum4_1b_2], [(1,2,-1,3,4,-2),(3,4,1,2)])#.numpy()
sum4_1b = sum4_1b_3 - sum4_1b_4
......@@ -343,8 +344,8 @@ class WegnerGenerator3B(WegnerGenerator):
# Calculate 2B generator
# fourth term
sum4_2b_1 = np.matmul(-1.0*tn.transpose(occA2), fod)
sum4_2b_2 = np.matmul(-1.0*tn.transpose(occA2), fd)
sum4_2b_1 = np.matmul(-1.0*np.transpose(occA2), fod)
sum4_2b_2 = np.matmul(-1.0*np.transpose(occA2), fd)
sum4_2b_3 = tn.ncon([Wd, sum4_2b_1], [(1,-1,-2,2,-3,-4), (2,1)])#.numpy()
sum4_2b_4 = tn.ncon([Wod, sum4_2b_2], [(1,-1,-2,2,-3,-4), (2,1)])#.numpy()
sum4_2b = sum4_2b_3 - sum4_2b_4
......@@ -356,9 +357,9 @@ class WegnerGenerator3B(WegnerGenerator):
sum5_2b_2 = tn.ncon([Wod, occG, Gd], [(4,-1,-2,5,6,-4),
(4,5,6,1,2,3),
(2,3,1,-3)])#.numpy()
sum5_2b = sum5_2b_2 - tn.transpose(sum5_2b_2, [3,2,0,1]) - \
tn.transpose(sum5_2b_2, [0,1,3,2]) + \
tn.transpose(sum5_2b_2, [2,3,0,1])
sum5_2b = sum5_2b_2 - np.transpose(sum5_2b_2, [3,2,0,1]) - \
np.transpose(sum5_2b_2, [0,1,3,2]) + \
np.transpose(sum5_2b_2, [2,3,0,1])
# sum5_2b_1 = tn.ncon([occG, God], [(-1,-2,-4,0,1,2), (1,2,0,-3)])#.numpy()
# sum5_2b_2 = tn.ncon([occG, Gd], [(-1,-2,-4,0,1,2), (1,2,0,-3)])#.numpy()
......@@ -388,9 +389,9 @@ class WegnerGenerator3B(WegnerGenerator):
sum7_2b_1 = tn.ncon([Wd, occI, Wod], [(5,6,-1,7,8,-4),
(5,6,7,8,1,2,3,4),
(3,4,-2,1,2,-3)])#.numpy()
sum7_2b = sum7_2b_1 - tn.transpose(sum7_2b_1,[1,0,2,3]) - \
tn.transpose(sum7_2b_1,[0,1,3,2]) + \
tn.transpose(sum7_2b_1,[1,0,3,2])
sum7_2b = sum7_2b_1 - np.transpose(sum7_2b_1,[1,0,2,3]) - \
np.transpose(sum7_2b_1,[0,1,3,2]) + \
np.transpose(sum7_2b_1,[1,0,3,2])
# sum7_2b_1 = tn.ncon([occI, Wod], [(-1,-2,-3,-4,0,1,2,3), (2,3,-5,0,1,-6)])#.numpy()
# sum7_2b_2 = tn.ncon([Wd, sum7_2b_1], [(0,1,-1,2,3,-4),(2,3,-2,0,1,-3)])#.numpy()
......@@ -407,24 +408,24 @@ class WegnerGenerator3B(WegnerGenerator):
sum1_3b_1 = tn.ncon([fd, Wod], [(-1,1), (1,-2,-3,-4,-5,-6)])#.numpy()
sum1_3b_2 = tn.ncon([fod, Wd], [(-1,1), (1,-2,-3,-4,-5,-6)])#.numpy()
sum1_3b_3 = sum1_3b_1 - sum1_3b_2
sum1_3b_4 = sum1_3b_3 - tn.transpose(sum1_3b_3, [1,0,2,3,4,5]) - \
tn.transpose(sum1_3b_3, [2,1,0,3,4,5])
sum1_3b_4 = sum1_3b_3 - np.transpose(sum1_3b_3, [1,0,2,3,4,5]) - \
np.transpose(sum1_3b_3, [2,1,0,3,4,5])
#terms with P(l/mn) -- line 1 and 2
sum1_3b_5 = tn.ncon([fd, Wod], [(1,-4), (-1,-2,-3,1,-5,-6)])#.numpy()
sum1_3b_6 = tn.ncon([fod, Wd], [(1,-4), (-1,-2,-3,1,-5,-6)])#.numpy()
sum1_3b_7 = sum1_3b_6 - sum1_3b_5
sum1_3b_8 = sum1_3b_7 - tn.transpose(sum1_3b_7, [0,1,2,4,3,5]) - \
tn.transpose(sum1_3b_7, [0,1,2,5,4,3])
sum1_3b_8 = sum1_3b_7 - np.transpose(sum1_3b_7, [0,1,2,4,3,5]) - \
np.transpose(sum1_3b_7, [0,1,2,5,4,3])
#terms with P(ij/k)P(l/mn) -- line 3
sum1_3b_9 = tn.ncon([Gd, God], [(-1,-2,-4,1),(1,-3,-5,-6)])#.numpy()
sum1_3b_10 = tn.ncon([God, Gd], [(-1,-2,-4,1),(1,-3,-5,-6)])#.numpy()
sum1_3b_11 = sum1_3b_9 - sum1_3b_10
sum1_3b_12 = sum1_3b_11 - tn.transpose(sum1_3b_11, [0,1,2,4,3,5]) - \
tn.transpose(sum1_3b_11, [0,1,2,5,4,3])
sum1_3b_13 = sum1_3b_12 - tn.transpose(sum1_3b_12, [2,1,0,3,4,5]) - \
tn.transpose(sum1_3b_12, [0,2,1,3,4,5])
sum1_3b_12 = sum1_3b_11 - np.transpose(sum1_3b_11, [0,1,2,4,3,5]) - \
np.transpose(sum1_3b_11, [0,1,2,5,4,3])
sum1_3b_13 = sum1_3b_12 - np.transpose(sum1_3b_12, [2,1,0,3,4,5]) - \
np.transpose(sum1_3b_12, [0,2,1,3,4,5])
sum1_3b = sum1_3b_4 + sum1_3b_8 + sum1_3b_13
......@@ -432,24 +433,24 @@ class WegnerGenerator3B(WegnerGenerator):
sum4_3b_1 = tn.ncon([Gd, occB, Wod], [(-1,-2,3,4),(3,4,1,2),(1,2,-3,-4,-5,-6)])#.numpy()
sum4_3b_2 = tn.ncon([God, occB, Wd], [(-1,-2,3,4),(3,4,1,2),(1,2,-3,-4,-5,-6)])#.numpy()
sum4_3b_3 = sum4_3b_1 - sum4_3b_2
sum4_3b = sum4_3b_3 - tn.transpose(sum4_3b_3, [1,0,2,3,4,5]) - \
tn.transpose(sum4_3b_3, [2,1,0,3,4,5])
sum4_3b = sum4_3b_3 - np.transpose(sum4_3b_3, [1,0,2,3,4,5]) - \
np.transpose(sum4_3b_3, [2,1,0,3,4,5])
#fifth term
sum5_3b_1 = tn.ncon([Gd, occB, Wod], [(3,4,-4,-5),(3,4,1,2),(-1,-2,-3,1,2,-6)])#.numpy()
sum5_3b_2 = tn.ncon([God, occB, Wd], [(3,4,-4,-5),(3,4,1,2),(-1,-2,-3,1,2,-6)])#.numpy()
sum5_3b_3 = sum5_3b_1 - sum5_3b_2
sum5_3b = sum5_3b_3 - tn.transpose(sum5_3b_3, [0,1,2,5,4,3]) - \
tn.transpose(sum5_3b_3, [0,1,2,3,5,4])
sum5_3b = sum5_3b_3 - np.transpose(sum5_3b_3, [0,1,2,5,4,3]) - \
np.transpose(sum5_3b_3, [0,1,2,3,5,4])
#sixth term
sum6_3b_1 = tn.ncon([Gd, occA, Wod], [(4,-1,3,-4),(3,4,1,2),(1,-2,-3,2,-5,-6)])#.numpy()
sum6_3b_2 = tn.ncon([God, occA, Wd], [(4,-1,3,-4),(3,4,1,2),(1,-2,-3,2,-5,-6)])#.numpy()
sum6_3b_3 = sum6_3b_1 - sum6_3b_2
sum6_3b_4 = sum6_3b_3 - tn.transpose(sum6_3b_3, [0,1,2,4,3,5]) - \
tn.transpose(sum6_3b_3, [0,1,2,5,4,3])
sum6_3b = sum6_3b_4 - tn.transpose(sum6_3b_4, [1,0,2,3,4,5]) - \
tn.transpose(sum6_3b_4, [2,1,0,3,4,5])
sum6_3b_4 = sum6_3b_3 - np.transpose(sum6_3b_3, [0,1,2,4,3,5]) - \
np.transpose(sum6_3b_3, [0,1,2,5,4,3])
sum6_3b = sum6_3b_4 - np.transpose(sum6_3b_4, [1,0,2,3,4,5]) - \
np.transpose(sum6_3b_4, [2,1,0,3,4,5])
#seventh term
sum7_3b_1 = tn.ncon([Wd, occJ, Wod], [(-1,-2,-3,4,5,6), (4,5,6,1,2,3), (1,2,3,-4,-5,-6)])#.numpy()
......@@ -460,10 +461,10 @@ class WegnerGenerator3B(WegnerGenerator):
sum8_3b_1 = tn.ncon([Wd, occC, Wod], [(4,5,-3,6,-5,-6), (4,5,6,1,2,3), (3,-1,-2,1,2,-4)])#.numpy()
sum8_3b_2 = tn.ncon([Wd, occC, Wod], [(6,-2,-3,4,5,-6), (4,5,6,1,2,3), (-1,1,2,-4,-5,3)])#.numpy()
sum8_3b_3 = sum8_3b_1 - sum8_3b_2
sum8_3b_4 = sum8_3b_3 - tn.transpose(sum8_3b_3, [0,1,2,4,3,5]) - \
tn.transpose(sum8_3b_3, [0,1,2,5,4,3])
sum8_3b = sum8_3b_4 - tn.transpose(sum8_3b_4, [2,1,0,3,4,5]) - \
tn.transpose(sum8_3b_4, [0,2,1,3,4,5])
sum8_3b_4 = sum8_3b_3 - np.transpose(sum8_3b_3, [0,1,2,4,3,5]) - \
np.transpose(sum8_3b_3, [0,1,2,5,4,3])
sum8_3b = sum8_3b_4 - np.transpose(sum8_3b_4, [2,1,0,3,4,5]) - \
np.transpose(sum8_3b_4, [0,2,1,3,4,5])
eta3B = sum1_3b + 0.5*sum4_3b + (-0.5)*sum5_3b + (-1.0)*sum6_3b + (1/6)*sum7_3b + 0.5*sum8_3b
......
oop_imsrg/hamiltonian.py
View file @ 366ad5e2
......@@ -268,7 +268,7 @@ class PairingHamiltonian2B(Hamiltonian):
# ob_contract = tn.contract(ob_ii).tensor#.tensor.numpy()
# tb_contract = 0.5*tn.contract(flatten).tensor#.tensor.numpy()
E = ob_contract + tn.Node(0.5)*tb_contract
E = ob_contract.tensor + 0.5*tb_contract.tensor
#E = E.astype(np.float32)
# - Calculate 1B piece
......@@ -282,11 +282,11 @@ class PairingHamiltonian2B(Hamiltonian):
# tb_contract = tn.contract(tb_ihjh)
#f = ob_node1b.tensor.numpy() + tb_contract.tensor.numpy()
f = (ob_node1b + tb_contract)
f = ob_node1b.tensor + tb_contract.tensor
#f = f.astype(np.float32)
# - Calculate 2B piece
G = tn.Node(H2B_t)
G = H2B_t
return (E, f, G)
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