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fixed tests
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nmayhall-vt committed Oct 3, 2023
1 parent 8db7426 commit eb40bdf
Showing 1 changed file with 28 additions and 28 deletions.
56 changes: 28 additions & 28 deletions test/test_tpsci.jl
Original file line number Diff line number Diff line change
Expand Up @@ -57,21 +57,21 @@ using JLD2
display(e0+e2)

ref = [
-16.886058281626212
-15.435802929062476
-15.422809456476203
-15.422679566409494
-15.409354655967498
]
-16.886058279836007
-15.435798355654288
-15.4228104425694
-15.422680127510118
-15.409357434493316
]
@test isapprox(abs.(ref), abs.(e0), atol=1e-6)

ref = [
-16.886190527549452
-15.43619528363379
-15.423267558873505
-15.423026036933145
-15.409734698775203
]
-16.886190525742013
-15.436190685557376
-15.42326855339792
-15.42302659988098
-15.409737495164334
]
@test isapprox(abs.(ref), abs.(e0+e2), atol=1e-6)

e2a, v1a = FermiCG.compute_pt1_wavefunction(v0, cluster_ops, clustered_ham, thresh_foi=1e-8)
Expand Down Expand Up @@ -111,25 +111,25 @@ end
display(e0+e2)

ref = [
-18.325122260268806
-18.042608404596134
-18.0162458151966
-17.986259642726033
-17.953886660103652
-17.926376569102178
-17.909347529788352
]
-18.325122258888328
-18.042608248491383
-18.0162458168032
-17.98626007894176
-17.953886773652684
-17.92637650450847
-17.90934751388588
]
@test isapprox(abs.(ref), abs.(e0), atol=1e-8)

ref = [
-18.329245065859478
-18.05230954803163
-18.02687857178544
-17.994780443365354
-17.962157609590793
-17.934865223545874
-17.91770687814887
]
-18.329245064283377
-18.052309500798415
-18.026878527967494
-17.994780942798855
-17.962157723302557
-17.934865155401628
-17.91770685344104
]
@test isapprox(abs.(ref), abs.(e0+e2), atol=1e-8)


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