Skip to content

update show interaction #7

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
ArrogantGao merged 1 commit into from
Dec 18, 2024
Merged

update show interaction #7

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
20 changes: 14 additions & 6 deletions Project.toml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,27 +1,35 @@
name = "FastSpecSoG"
uuid = "ebb58456-9453-4d17-87e2-7100c1ea036c"
authors = ["Xuanzhao Gao <[email protected]>, Jiuyang Liang and Qi Zhou"]
version = "1.0.0-DEV"
version = "0.1.0"

[deps]
ChebParticleMesh = "1983ef0c-217d-4026-99b0-9163e7750d85"
DoubleFloats = "497a8b3b-efae-58df-a0af-a86822472b78"
EwaldSummations = "329efeb5-5dc7-45f3-8303-d0bcfeef1c8a"
ExTinyMD = "fec76197-d59f-46dd-a0ed-76a83c21f7aa"
FFTW = "7a1cc6ca-52ef-59f5-83cd-3a7055c09341"
FastChebInterp = "cf66c380-9a80-432c-aff8-4f9c79c0bdde"
LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
LoopVectorization = "bdcacae8-1622-11e9-2a5c-532679323890"
Polynomials = "f27b6e38-b328-58d1-80ce-0feddd5e7a45"
Random = "9a3f8284-a2c9-5f02-9a11-845980a1fd5c"
SpecialFunctions = "276daf66-3868-5448-9aa4-cd146d93841b"
TaylorSeries = "6aa5eb33-94cf-58f4-a9d0-e4b2c4fc25ea"

[compat]
julia = "1"
ChebParticleMesh = "0.1.0"
DoubleFloats = "1.4.2"
ExTinyMD = "0.2.6"
FFTW = "1.8.0"
FastChebInterp = "1.2.0"
LinearAlgebra = "1.11.0"
Polynomials = "4.0.11"
SpecialFunctions = "2.4.0"
julia = "1.10"

[extras]
EwaldSummations = "329efeb5-5dc7-45f3-8303-d0bcfeef1c8a"
Random = "9a3f8284-a2c9-5f02-9a11-845980a1fd5c"
TaylorSeries = "6aa5eb33-94cf-58f4-a9d0-e4b2c4fc25ea"
Test = "8dfed614-e22c-5e08-85e1-65c5234f0b40"

[targets]
test = ["Test"]
test = ["Test", "TaylorSeries", "Random", "EwaldSummations"]
8 changes: 7 additions & 1 deletion src/types.jl
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -18,6 +18,8 @@ struct FSSoG_naive{T} <: ExTinyMD.AbstractInteraction
n_atoms::Int
end

Base.show(io::IO, fssog_naive::FSSoG_naive{T}) where{T} = print(io, "FSSoG_naive($T), b=$(fssog_naive.b), σ=$(fssog_naive.σ), ω=$(fssog_naive.ω), M=$(fssog_naive.M), r_c=$(fssog_naive.r_c), k_c=$(fssog_naive.k_c), ϵ=$(fssog_naive.ϵ), L=$(fssog_naive.L), n_atoms=$(fssog_naive.n_atoms)")

mutable struct FSSoGInteraction{T} <: ExTinyMD.AbstractInteraction
b::T
σ::T
Expand Down Expand Up @@ -62,6 +64,8 @@ mutable struct FSSoGInteraction{T} <: ExTinyMD.AbstractInteraction
chebuseries::ChebPoly{1, T, T}
end

Base.show(io::IO, fssog::FSSoGInteraction{T}) where{T} = print(io, "FSSoGInteraction($T), b=$(fssog.b), σ=$(fssog.σ), ω=$(fssog.ω), M=$(fssog.M), M_mid=$(fssog.M_mid), ϵ=$(fssog.ϵ), L=$(fssog.L), r_c=$(fssog.r_c), Q_0=$(fssog.Q_0), N_grid_mid=$(fssog.gridinfo.N_pad), N_grid_long=$(size(fssog.H_r))")

mutable struct FSSoGThinInteraction{T} <: ExTinyMD.AbstractInteraction
b::T
σ::T
Expand Down Expand Up @@ -97,4 +101,6 @@ mutable struct FSSoGThinInteraction{T} <: ExTinyMD.AbstractInteraction
chebcoefs0::Vector{T}
grids0::Vector{T}
chebuseries::ChebPoly{1, T, T}
end
end

Base.show(io::IO, fssog_thin::FSSoGThinInteraction{T}) where{T} = print(io, "FSSoGThinInteraction($T), b=$(fssog_thin.b), σ=$(fssog_thin.σ), ω=$(fssog_thin.ω), M=$(fssog_thin.M), ϵ=$(fssog_thin.ϵ), L=$(fssog_thin.L), r_c=$(fssog_thin.r_c), Q_0=$(fssog_thin.Q_0), N_grid=$(size(fssog_thin.H_r))")
3 changes: 2 additions & 1 deletion test/runtests.jl
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,6 +1,7 @@
using FastSpecSoG
using Test
using ExTinyMD, EwaldSummations, TaylorSeries, FFTW, Polynomials, DoubleFloats
using ExTinyMD, EwaldSummations, TaylorSeries, FFTW, Polynomials
using DoubleFloats
using Random
Random.seed!(1234)

Expand Down
Loading