lattice/latticegpu.jl
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Added Base.show for integrators and omf2

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This commit is contained in:
Alberto Ramos 2021-10-22 16:14:23 +02:00
parent 0654f15564
commit e96925e011
1 changed files with 32 additions and 9 deletions
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41
src/MD/MD.jl
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@ -12,13 +12,17 @@
module MD
# Dalla Brida / Luscher coefficients of
# fourth order integrator
const r1 = 0.08398315262876693
const r2 = 0.25397851084105950
const r3 = 0.68223653357190910
const r4 = -0.03230286765269967
const r5 = 0.5-r1-r3
const r6 = 1.0-2.0*(r2+r4)
# OMF integrator
const r1omf4 = 0.08398315262876693
const r2omf4 = 0.25397851084105950
const r3omf4 = 0.68223653357190910
const r4omf4 = -0.03230286765269967
const r5omf4 = 0.5-r1omf4-r3omf4
const r6omf4 = 1.0-2.0*(r2omf4+r4omf4)
const r1omf2 = 0.1931833275037836
const r2omf2 = 0.5
const r3omf2 = 1 - 2*r1omf2
struct IntrScheme{N, T}
r::NTuple{N, T}
@ -26,10 +30,29 @@ struct IntrScheme{N, T}
ns::Int64
end
omf4(::Type{T}, eps, ns) where T = IntrScheme{6,T}((r1,r2,r3,r4,r5,r6), eps, ns)
omf2(::Type{T}, eps, ns) where T = IntrScheme{3,T}((r1omf2,r2omf2,r3omf2), eps, ns)
omf4(::Type{T}, eps, ns) where T = IntrScheme{6,T}((r1omf4,r2omf4,r3omf4,r4omf4,r5omf4,r6omf4), eps, ns)
leapfrog(::Type{T}, eps, ns) where T = IntrScheme{2,T}((0.5,1.0,0.5), eps, ns)
export IntrScheme, omf4, leapfrog
import Base.show
function Base.show(io::IO, int::IntrScheme{N,T}) where {N,T}
if N == 2
println(io, "LEAPFROG integration scheme")
elseif N == 3
println(io, "OMF2 integration scheme")
elseif N == 6
println(io, "OMF4 integration scheme")
end
println(io, " - eps: ", int.eps)
println(io, " - ns: ", int.ns)
return nothing
end
export IntrScheme, omf4, leapfrog, omf2
end