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Fix test anderson_g2_matsubara
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@j-otsuki
j-otsuki committed Mar 1, 2018
1 parent c752ac6 commit 00c4a1a
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70 changes: 37 additions & 33 deletions test/python/anderson_g2_matsubara.py
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Original file line number Diff line number Diff line change
Expand Up @@ -25,11 +25,9 @@
spin_names = ("up", "dn")

# Number of bosonic Matsubara frequencies for G^2 calculations
g2_n_iw = 5
g2_n_wb = 5
# Number of fermionic Matsubara frequencies for G^2 calculations
g2_n_inu = 5
# Block index combinations for G^2 calculations
g2_blocks = set([("up", "up"), ("dn", "dn"), ("up", "dn")])
g2_n_wf = 5

# GF structure
gf_struct = {'up' : [0], 'dn' : [0]}
Expand Down Expand Up @@ -67,48 +65,54 @@
# G^{(2)} #
###########

common_g2_params = {'gf_struct' : gf_struct,
common_g2_params = {'channel' : "PH",
'gf_struct' : gf_struct,
'beta' : beta,
'blocks' : g2_blocks,
'n_iw' : g2_n_iw}
'n_f' : g2_n_wf,
'n_b' : g2_n_wb, }


# Compute G^{(2),ph}(i\omega;i\nu,i\nu'), AABB block order
G2_iw_inu_inup_ph_AABB = ed.G2_iw_inu_inup(channel = "PH",
block_order = "AABB",
n_inu = g2_n_inu,
**common_g2_params)
G2_iw_ph_uuuu = ed.G2_iw( index1=('up',0), index2=('up',0), index3=('up',0), index4=('up',0), **common_g2_params )
G2_iw_ph_dddd = ed.G2_iw( index1=('dn',0), index2=('dn',0), index3=('dn',0), index4=('dn',0), **common_g2_params )
G2_iw_ph_uudd = ed.G2_iw( index1=('up',0), index2=('up',0), index3=('dn',0), index4=('dn',0), **common_g2_params )
G2_iw_ph_dduu = ed.G2_iw( index1=('dn',0), index2=('dn',0), index3=('up',0), index4=('up',0), **common_g2_params )

# Compute G^{(2),ph}(i\omega;i\nu,i\nu'), ABBA block order
G2_iw_inu_inup_ph_ABBA = ed.G2_iw_inu_inup(channel = "PH",
block_order = "ABBA",
n_inu = g2_n_inu,
**common_g2_params)
G2_iw_ph_uddu = ed.G2_iw( index1=('up',0), index2=('dn',0), index3=('dn',0), index4=('up',0), **common_g2_params )
G2_iw_ph_duud = ed.G2_iw( index1=('dn',0), index2=('up',0), index3=('up',0), index4=('dn',0), **common_g2_params )

# Compute G^{(2),pp}(i\omega;i\nu,i\nu'), AABB block order
G2_iw_inu_inup_pp_AABB = ed.G2_iw_inu_inup(channel = "PP",
block_order = "AABB",
n_inu = g2_n_inu,
**common_g2_params)
# G2_iw_inu_inup_pp_AABB = ed.G2_iw_inu_inup(channel = "PP",
# block_order = "AABB",
# n_inu = g2_n_inu,
# **common_g2_params)

# Compute G^{(2),pp}(i\omega;i\nu,i\nu'), ABBA block order
G2_iw_inu_inup_pp_ABBA = ed.G2_iw_inu_inup(channel = "PP",
block_order = "ABBA",
n_inu = g2_n_inu,
**common_g2_params)
# G2_iw_inu_inup_pp_ABBA = ed.G2_iw_inu_inup(channel = "PP",
# block_order = "ABBA",
# n_inu = g2_n_inu,
# **common_g2_params)

diff = lambda g1, g2: np.linalg.norm(g1-g2)/g1.size # mean squared error
# diff = lambda g1, g2: np.linalg.norm(g1-g2, ord=np.inf) # max(|x|)
gfs_are_close = lambda g1, g2: diff(g1,g2) < 1e-8

if mpi.is_master_node():
with HDFArchive('anderson_g2_matsubara_np%i.out.h5' % mpi.size, 'w') as ar:
ar['H'] = H
ar['G2_iw_inu_inup_ph_AABB'] = G2_iw_inu_inup_ph_AABB
ar['G2_iw_inu_inup_ph_ABBA'] = G2_iw_inu_inup_ph_ABBA
ar['G2_iw_inu_inup_pp_AABB'] = G2_iw_inu_inup_pp_AABB
ar['G2_iw_inu_inup_pp_ABBA'] = G2_iw_inu_inup_pp_ABBA
ar['G2_iw_ph_uuuu'] = G2_iw_ph_uuuu
ar['G2_iw_ph_dddd'] = G2_iw_ph_dddd
ar['G2_iw_ph_uudd'] = G2_iw_ph_uudd
ar['G2_iw_ph_dduu'] = G2_iw_ph_dduu
ar['G2_iw_ph_uddu'] = G2_iw_ph_uddu
ar['G2_iw_ph_duud'] = G2_iw_ph_duud

with HDFArchive("anderson_g2_matsubara.ref.h5", 'r') as ar:
assert (ar['H'] - H).is_zero()
for bn1, bn2 in g2_blocks:
assert_gfs_are_close(ar['G2_iw_inu_inup_ph_AABB'][bn1, bn2], G2_iw_inu_inup_ph_AABB[bn1, bn2])
assert_gfs_are_close(ar['G2_iw_inu_inup_ph_ABBA'][bn1, bn2], G2_iw_inu_inup_ph_ABBA[bn1, bn2])
assert_gfs_are_close(ar['G2_iw_inu_inup_pp_AABB'][bn1, bn2], G2_iw_inu_inup_pp_AABB[bn1, bn2])
assert_gfs_are_close(ar['G2_iw_inu_inup_pp_ABBA'][bn1, bn2], G2_iw_inu_inup_pp_ABBA[bn1, bn2])

assert ( gfs_are_close(ar['G2_iw_ph_uuuu'], G2_iw_ph_uuuu) )
assert ( gfs_are_close(ar['G2_iw_ph_dddd'], G2_iw_ph_dddd) )
assert ( gfs_are_close(ar['G2_iw_ph_uudd'], G2_iw_ph_uudd) )
assert ( gfs_are_close(ar['G2_iw_ph_dduu'], G2_iw_ph_dduu) )
assert ( gfs_are_close(ar['G2_iw_ph_uddu'], G2_iw_ph_uddu) )
assert ( gfs_are_close(ar['G2_iw_ph_duud'], G2_iw_ph_duud) )
Binary file modified test/python/anderson_g2_matsubara.ref.h5
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12 changes: 10 additions & 2 deletions test/python/wick.py
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Original file line number Diff line number Diff line change
Expand Up @@ -115,8 +115,16 @@
G2_ph_duud_wick[i,j1,j2] = - beta * d_nu_nup * G("up", wf1+wb) * G("dn", wf1)


# assert_gfs_are_close(G2_ph_uddu_wick, G2_ph_uddu)
gfs_are_close = lambda g1, g2: np.sum(g1-g2) < 1e-7
diff = lambda g1, g2: np.linalg.norm(g1-g2)/g1.size # mean squared error
# diff = lambda g1, g2: np.linalg.norm(g1-g2, ord=np.inf) # max(|x|)
gfs_are_close = lambda g1, g2: diff(g1,g2) < 1e-8

print diff(G2_ph_uuuu_wick,G2_ph_uuuu)
print diff(G2_ph_dddd_wick,G2_ph_dddd)
print diff(G2_ph_uudd_wick,G2_ph_uudd)
print diff(G2_ph_dduu_wick,G2_ph_dduu)
print diff(G2_ph_uddu_wick,G2_ph_uddu)
print diff(G2_ph_duud_wick,G2_ph_duud)

assert( gfs_are_close(G2_ph_uuuu_wick, G2_ph_uuuu) )
assert( gfs_are_close(G2_ph_dddd_wick, G2_ph_dddd) )
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