From eb40bdf7b2b4479926de60d747923645daac7809 Mon Sep 17 00:00:00 2001 From: Nick Mayhall Date: Tue, 3 Oct 2023 17:33:43 -0400 Subject: [PATCH] fixed tests --- test/test_tpsci.jl | 56 +++++++++++++++++++++++----------------------- 1 file changed, 28 insertions(+), 28 deletions(-) diff --git a/test/test_tpsci.jl b/test/test_tpsci.jl index 5aebe98..4005ce2 100644 --- a/test/test_tpsci.jl +++ b/test/test_tpsci.jl @@ -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) @@ -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)