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4 changes: 2 additions & 2 deletions docs/src/DB.md
Original file line number Diff line number Diff line change
Expand Up @@ -25,8 +25,8 @@ Add a benchmark using `TwoBody.put!`:

```julia-repl
julia> hamiltonian = Hamiltonian(
NonRelativisticKinetic(ℏ = 1.0, m = 1.0),
CoulombPotential(coefficient = -1.0),
Kinetic(ℏ = 1.0, m = 1.0),
Coulomb(coefficient = -1.0),
)

julia> TwoBody.put!(:example, hamiltonian, -0.5)
Expand Down
10 changes: 5 additions & 5 deletions docs/src/FDM.md
Original file line number Diff line number Diff line change
Expand Up @@ -38,8 +38,8 @@ Define the [Hamiltoninan](@ref Hamiltonian). This is an example for the non-rela
```
```@example example
H = Hamiltonian(
NonRelativisticKinetic(ℏ = 1 , m = 1),
CoulombPotential(coefficient = -1),
Kinetic(ℏ = 1, m = 1),
Coulomb(coefficient = -1),
)
nothing # hide
```
Expand Down Expand Up @@ -79,7 +79,7 @@ Analytical solutions are implemented in [Antique.jl](https://ohno.github.io/Anti
```@example example
# solve
using TwoBody
H = Hamiltonian(NonRelativisticKinetic(1,1), CoulombPotential(-1))
H = Hamiltonian(Kinetic(1, 1), Coulomb(-1))
FDM = FiniteDifferenceMethod()
res = solve(H, FDM, info=0, nₘₐₓ=4)

Expand Down Expand Up @@ -134,7 +134,7 @@ Analytical solutions are implemented in [spherical oscillator](https://ohno.gith
```@example example
# solve
using TwoBody
H = Hamiltonian(NonRelativisticKinetic(1,1), PowerLawPotential(coefficient=1/2,exponent=2))
H = Hamiltonian(Kinetic(1, 1), PowerLaw(coefficient=1/2, exponent=2))
FDM = FiniteDifferenceMethod(rₘₐₓ=10.0)
res = solve(H, FDM, info=0, nₘₐₓ=4)

Expand Down Expand Up @@ -190,6 +190,6 @@ TwoBody.FiniteDifferenceMethod
TwoBody.solve(hamiltonian::Hamiltonian, method::FiniteDifferenceMethod)
TwoBody.matrix(o::Hamiltonian, method::FiniteDifferenceMethod)
TwoBody.matrix(o::RestEnergy, method::FiniteDifferenceMethod)
TwoBody.matrix(o::NonRelativisticKinetic, method::FiniteDifferenceMethod)
TwoBody.matrix(o::Kinetic, method::FiniteDifferenceMethod)
TwoBody.matrix(o::PotentialTerm, method::FiniteDifferenceMethod)
```
22 changes: 11 additions & 11 deletions docs/src/Hamiltonian.md
Original file line number Diff line number Diff line change
Expand Up @@ -11,18 +11,18 @@ TwoBody.Hamiltonian
## Operators

```@docs; canonical=false
TwoBody.NonRelativisticKinetic
TwoBody.Kinetic
TwoBody.RestEnergy
TwoBody.RelativisticCorrection
TwoBody.RelativisticKinetic
TwoBody.ConstantPotential
TwoBody.LinearPotential
TwoBody.CoulombPotential
TwoBody.PowerLawPotential
TwoBody.GaussianPotential
TwoBody.ExponentialPotential
TwoBody.YukawaPotential
TwoBody.DeltaPotential
TwoBody.FunctionPotential
TwoBody.UniformGridPotential
TwoBody.Constant
TwoBody.Linear
TwoBody.Coulomb
TwoBody.PowerLaw
TwoBody.Gaussian
TwoBody.Exponential
TwoBody.Yukawa
TwoBody.Delta
TwoBody.Custom
TwoBody.Tabulated
```
20 changes: 10 additions & 10 deletions docs/src/Rayleigh-Ritz.md
Original file line number Diff line number Diff line change
Expand Up @@ -35,8 +35,8 @@ Define the [Hamiltoninan](@ref Hamiltonian). This is an example for the non-rela

```@example example
H = Hamiltonian(
NonRelativisticKinetic(ℏ = 1 , m = 1),
CoulombPotential(coefficient = -1),
Kinetic(ℏ = 1, m = 1),
Coulomb(coefficient = -1),
)
nothing # hide
```
Expand Down Expand Up @@ -78,7 +78,7 @@ Analytical solutions are implemented in [Antique.jl](https://ohno.github.io/Anti
```@example example
# solve
using TwoBody
H = Hamiltonian(NonRelativisticKinetic(1,1), CoulombPotential(-1))
H = Hamiltonian(Kinetic(1, 1), Coulomb(-1))
BS = GeometricBasisSet(SimpleGaussianBasis, 0.1, 80.0, 20)
res = solve(H, BS)

Expand Down Expand Up @@ -132,7 +132,7 @@ Analytical solutions are implemented in [spherical oscillator](https://ohno.gith
```@example example
# solve
using TwoBody
H = Hamiltonian(NonRelativisticKinetic(1,1), PowerLawPotential(coefficient=1/2,exponent=2))
H = Hamiltonian(Kinetic(1, 1), PowerLaw(coefficient=1/2, exponent=2))
BS = GeometricBasisSet(SimpleGaussianBasis, 1.0, 10.0, 20)
res = solve(H, BS)

Expand Down Expand Up @@ -222,10 +222,10 @@ element(SGB1::SimpleGaussianBasis, SGB2::SimpleGaussianBasis)
element(o::Hamiltonian, B1::Basis, B2::Basis)
element(o::RestEnergy, SGB1::SimpleGaussianBasis, SGB2::SimpleGaussianBasis)
element(o::Laplacian, SGB1::SimpleGaussianBasis, SGB2::SimpleGaussianBasis)
element(o::NonRelativisticKinetic, SGB1::SimpleGaussianBasis, SGB2::SimpleGaussianBasis)
element(o::ConstantPotential, SGB1::SimpleGaussianBasis, SGB2::SimpleGaussianBasis)
element(o::LinearPotential, SGB1::SimpleGaussianBasis, SGB2::SimpleGaussianBasis)
element(o::CoulombPotential, SGB1::SimpleGaussianBasis, SGB2::SimpleGaussianBasis)
element(o::PowerLawPotential, SGB1::SimpleGaussianBasis, SGB2::SimpleGaussianBasis)
element(o::GaussianPotential, SGB1::SimpleGaussianBasis, SGB2::SimpleGaussianBasis)
element(o::Kinetic, SGB1::SimpleGaussianBasis, SGB2::SimpleGaussianBasis)
element(o::Constant, SGB1::SimpleGaussianBasis, SGB2::SimpleGaussianBasis)
element(o::Linear, SGB1::SimpleGaussianBasis, SGB2::SimpleGaussianBasis)
element(o::Coulomb, SGB1::SimpleGaussianBasis, SGB2::SimpleGaussianBasis)
element(o::PowerLaw, SGB1::SimpleGaussianBasis, SGB2::SimpleGaussianBasis)
element(o::Gaussian, SGB1::SimpleGaussianBasis, SGB2::SimpleGaussianBasis)
```
4 changes: 2 additions & 2 deletions docs/src/VMC.md
Original file line number Diff line number Diff line change
Expand Up @@ -51,8 +51,8 @@ using TwoBody

# Hamiltonian
H = Hamiltonian(
NonRelativisticKinetic(ℏ=1, m=1),
CoulombPotential(coefficient=-1),
Kinetic(ℏ=1, m=1),
Coulomb(coefficient=-1),
)

# Trial wave function
Expand Down
4 changes: 2 additions & 2 deletions docs/src/index.md
Original file line number Diff line number Diff line change
Expand Up @@ -31,8 +31,8 @@ Define the [Hamiltoninan](@ref Hamiltonian). This is an example for the non-rela
```
```@example index
H = Hamiltonian(
NonRelativisticKinetic(ℏ = 1 , m = 1),
CoulombPotential(coefficient = -1),
Kinetic(ℏ = 1, m = 1),
Coulomb(coefficient = -1),
)
nothing # hide
```
Expand Down
12 changes: 6 additions & 6 deletions src/DB.jl
Original file line number Diff line number Diff line change
Expand Up @@ -38,26 +38,26 @@ put!(key::AbstractString, hamiltonian::Hamiltonian, energy::Real) =
put!(
:hydrogen,
Hamiltonian(
NonRelativisticKinetic(ℏ = 1.0, m = 1.0),
CoulombPotential(coefficient = -1.0),
Kinetic(ℏ = 1.0, m = 1.0),
Coulomb(coefficient = -1.0),
),
-0.5,
)

put!(
:positronium,
Hamiltonian(
NonRelativisticKinetic(ℏ = 1.0, m = 0.5),
CoulombPotential(coefficient = -1.0),
Kinetic(ℏ = 1.0, m = 0.5),
Coulomb(coefficient = -1.0),
),
-0.25,
)

put!(
:harmonic_oscillator,
Hamiltonian(
NonRelativisticKinetic(ℏ = 1.0, m = 1.0),
PowerLawPotential(coefficient = 0.5, exponent = 2.0),
Kinetic(ℏ = 1.0, m = 1.0),
PowerLaw(coefficient = 0.5, exponent = 2.0),
),
1.5,
)
Expand Down
6 changes: 3 additions & 3 deletions src/FDM.jl
Original file line number Diff line number Diff line change
Expand Up @@ -34,7 +34,7 @@ function matrix(o::RestEnergy, method::FiniteDifferenceMethod)
return SparseArrays.spdiagm([o.m * o.c^2 for r in method.R])
end

function matrix(o::NonRelativisticKinetic, method::FiniteDifferenceMethod)
function matrix(o::Kinetic, method::FiniteDifferenceMethod)
D = FiniteDifferenceMatrices.fdmatrix(Int64(length(method.R)), n=1, m=2, d=method.direction, h=method.Δr, t=typeof(method.Δr))
D² = FiniteDifferenceMatrices.fdmatrix(Int64(length(method.R)), n=2, m=2, d=method.direction, h=method.Δr, t=typeof(method.Δr))
return -o.ℏ^2/2/o.m * (D² + SparseArrays.spdiagm(2 ./ method.R) * D - method.l*(method.l+1) * SparseArrays.spdiagm(1 ./ method.R .^ 2))
Expand Down Expand Up @@ -207,7 +207,7 @@ mc^2
""" matrix(o::RestEnergy, method::FiniteDifferenceMethod)

@doc raw"""
`matrix(o::NonRelativisticKinetic, method::FiniteDifferenceMethod)`
`matrix(o::Kinetic, method::FiniteDifferenceMethod)`

We use the shorthand notation $\psi'(r) = \frac{\mathrm{d}\psi}{\mathrm{d}r}(r)$ and $\psi''(r) = \frac{\mathrm{d}^{2}\psi}{\mathrm{d}r^{2}}(r)$. For the uniform grid spacing ($r_{i+1} = r_{i} + \Delta r$), the finite difference for the first derivative,

Expand Down Expand Up @@ -326,7 +326,7 @@ is written as
\end{array}\right)
\right].
```
""" matrix(o::NonRelativisticKinetic, method::FiniteDifferenceMethod)
""" matrix(o::Kinetic, method::FiniteDifferenceMethod)

@doc raw"""
`matrix(o::PotentialTerm, method::FiniteDifferenceMethod)`
Expand Down
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