diff --git a/Project.toml b/Project.toml index 850fe1a..f2124a7 100644 --- a/Project.toml +++ b/Project.toml @@ -5,6 +5,7 @@ version = "1.0.0-DEV" [deps] ChebParticleMesh = "1983ef0c-217d-4026-99b0-9163e7750d85" +DoubleFloats = "497a8b3b-efae-58df-a0af-a86822472b78" ExTinyMD = "fec76197-d59f-46dd-a0ed-76a83c21f7aa" FFTW = "7a1cc6ca-52ef-59f5-83cd-3a7055c09341" FastChebInterp = "cf66c380-9a80-432c-aff8-4f9c79c0bdde" @@ -12,7 +13,6 @@ LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e" LoopVectorization = "bdcacae8-1622-11e9-2a5c-532679323890" OMEinsum = "ebe7aa44-baf0-506c-a96f-8464559b3922" Polynomials = "f27b6e38-b328-58d1-80ce-0feddd5e7a45" -Quadmath = "be4d8f0f-7fa4-5f49-b795-2f01399ab2dd" SpecialFunctions = "276daf66-3868-5448-9aa4-cd146d93841b" SumOfExpVPMR = "2c69873a-e0bb-44e1-90b4-d15ac3b7e936" diff --git a/src/FastSpecSoG.jl b/src/FastSpecSoG.jl index ba513d8..568bb2e 100644 --- a/src/FastSpecSoG.jl +++ b/src/FastSpecSoG.jl @@ -1,6 +1,6 @@ module FastSpecSoG -using ExTinyMD, LinearAlgebra, SpecialFunctions, ChebParticleMesh, SumOfExpVPMR, LoopVectorization, OMEinsum, FastChebInterp, Polynomials, FFTW, Quadmath +using ExTinyMD, LinearAlgebra, SpecialFunctions, ChebParticleMesh, SumOfExpVPMR, LoopVectorization, OMEinsum, FastChebInterp, Polynomials, FFTW, DoubleFloats using Base.Threads import FastChebInterp: ChebPoly diff --git a/src/energy/energy_long_naive.jl b/src/energy/energy_long_naive.jl index 2c9906d..a8178bf 100644 --- a/src/energy/energy_long_naive.jl +++ b/src/energy/energy_long_naive.jl @@ -87,7 +87,7 @@ function long_energy_sw_0(qs::Vector{T}, poses::Vector{NTuple{3, T}}, L::NTuple{ qj = qs[j] xj, yj, zj = poses[j] - t += qj * exp( - Float128((zi - zj)^2 / s^2)) + t += qj * exp( - Double64((zi - zj)^2 / s^2)) end atomic_add!(E, qi * T(t))