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basichfproxy.jl's Issues

Sequential: Numerical error increasing with number of atoms

Absolute and relative difference between our energies and the ones given at the bottom of the input files are somewhat increasing with the number of atoms.

What accuracy do we expect here?

julia> include("scripts/compare_energies_sequential.jl")
he4
        Energy: 4.050176411152184
        Exp. Energy: 4.0501763971342815
        Absolute diff: 1.401790239441425e-8
        Relative diff: 3.4610597158371354e-9

he8
        Energy: 11.585212610450453
        Exp. Energy: 11.585212581525834
        Absolute diff: 2.892461914427713e-8
        Relative diff: 2.4966843641948766e-9

he16
        Energy: 36.902388042171324
        Exp. Energy: 36.9024169284621
        Absolute diff: 2.888629077801852e-5
        Relative diff: 7.827753434078509e-7

he32
        Energy: 122.24809252263495
        Exp. Energy: 122.24833636200681
        Absolute diff: 0.0002438393718620091
        Relative diff: 1.994625221925489e-6

he64
        Energy: 419.67061580974325
        Exp. Energy: 419.672120857446
        Absolute diff: 0.0015050477027216402
        Relative diff: 3.586252997667655e-6

he128
        Energy: 1300.0865025179144
        Exp. Energy: 1300.09362639209
        Absolute diff: 0.007123874175704259
        Relative diff: 5.479523588768127e-6

he256
        Energy: 4204.772235830343
        Exp. Energy: 4204.8044781805
        Absolute diff: 0.0322423501575031
        Relative diff: 7.668007856753471e-6

he512
        Energy: 14131.608275867713
        Exp. Energy: 14131.752017398
        Absolute diff: 0.1437415302862064
        Relative diff: 1.0171581071374275e-5

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