From 0f9cf5e77fd603919eab1bd7e52902df0c5cf73f Mon Sep 17 00:00:00 2001 From: Shuhei Ohno Date: Mon, 10 Aug 2026 23:11:08 +0900 Subject: [PATCH 1/4] Prepare v0.1.0 release --- NEWS.md | 74 ++++++++++++++++++++++++++++++++++++++++++++++++++++ Project.toml | 2 +- 2 files changed, 75 insertions(+), 1 deletion(-) create mode 100644 NEWS.md diff --git a/NEWS.md b/NEWS.md new file mode 100644 index 0000000..2052c0e --- /dev/null +++ b/NEWS.md @@ -0,0 +1,74 @@ +# TwoBody.jl release notes + +## v0.1.0 — 2026-08-10 + +TwoBody.jl v0.1.0 adds variational Monte Carlo calculations and a benchmark +Hamiltonian database, improves the Rayleigh–Ritz workflow, and simplifies the +public operator API. This release contains breaking API changes; see the +migration notes below. + +### Highlights + +- Added `VariationalMonteCarlo` with symmetric Metropolis sampling, burn-in, + thinning, multiple walkers, reproducible random-number generation, sampling + diagnostics, and ForwardDiff-based local-energy evaluation. +- Added a benchmark Hamiltonian database with lookup and registration support + for reusable physical systems. +- Improved Rayleigh–Ritz results and examples, including updated Antique.jl + integration. +- Added tested VMC and database guides and made database examples executable in + Documenter. + +### Breaking changes + +Hamiltonian operator types now use concise mathematical names. The old names +have been removed rather than retained as aliases: + +| Before | v0.1.0 | +| --- | --- | +| `NonRelativisticKinetic` | `Kinetic` | +| `ConstantPotential` | `Constant` | +| `LinearPotential` | `Linear` | +| `CoulombPotential` | `Coulomb` | +| `PowerLawPotential` | `PowerLaw` | +| `GaussianPotential` | `Gaussian` | +| `ExponentialPotential` | `Exponential` | +| `YukawaPotential` | `Yukawa` | +| `DeltaPotential` | `Delta` | +| `FunctionPotential` | `Custom` | +| `UniformGridPotential` | `Tabulated` | + +For example, update + +```julia +Hamiltonian( + NonRelativisticKinetic(ℏ=1, m=1), + CoulombPotential(coefficient=-1), +) +``` + +to + +```julia +Hamiltonian( + Kinetic(ℏ=1, m=1), + Coulomb(coefficient=-1), +) +``` + +### Compatibility and maintenance + +- Updated Antique.jl examples and tests for Antique.jl 0.15. +- Fixed documentation deployment after the repository moved to the + `JuliaFewBody` organization. +- Updated stable, development, repository, and documentation links for the new + repository location. + +### Included pull requests + +- #16 — Add the benchmark Hamiltonian database. +- #19 — Update Antique.jl test API usage. +- #22 — Add variational Monte Carlo. +- #23 — Simplify Hamiltonian operator names. +- #24 — Fix documentation deployment after the repository transfer. +- #25 — Make database documentation examples executable. diff --git a/Project.toml b/Project.toml index 74c6852..ae3ba08 100644 --- a/Project.toml +++ b/Project.toml @@ -1,7 +1,7 @@ name = "TwoBody" uuid = "a92d7657-722c-45a6-9d18-9da4c8a753b6" authors = ["Shuhei Ohno"] -version = "0.0.10" +version = "0.1.0" [deps] ArnoldiMethod = "ec485272-7323-5ecc-a04f-4719b315124d" From c7689a0f5d45068ab7f7042918aca706db8b86c1 Mon Sep 17 00:00:00 2001 From: Shuhei Ohno Date: Mon, 10 Aug 2026 23:40:03 +0900 Subject: [PATCH 2/4] Correct release version to v0.0.11 --- NEWS.md | 6 +++--- Project.toml | 2 +- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/NEWS.md b/NEWS.md index 2052c0e..477110b 100644 --- a/NEWS.md +++ b/NEWS.md @@ -1,8 +1,8 @@ # TwoBody.jl release notes -## v0.1.0 — 2026-08-10 +## v0.0.11 — 2026-08-10 -TwoBody.jl v0.1.0 adds variational Monte Carlo calculations and a benchmark +TwoBody.jl v0.0.11 adds variational Monte Carlo calculations and a benchmark Hamiltonian database, improves the Rayleigh–Ritz workflow, and simplifies the public operator API. This release contains breaking API changes; see the migration notes below. @@ -24,7 +24,7 @@ migration notes below. Hamiltonian operator types now use concise mathematical names. The old names have been removed rather than retained as aliases: -| Before | v0.1.0 | +| Before | v0.0.11 | | --- | --- | | `NonRelativisticKinetic` | `Kinetic` | | `ConstantPotential` | `Constant` | diff --git a/Project.toml b/Project.toml index ae3ba08..26f2304 100644 --- a/Project.toml +++ b/Project.toml @@ -1,7 +1,7 @@ name = "TwoBody" uuid = "a92d7657-722c-45a6-9d18-9da4c8a753b6" authors = ["Shuhei Ohno"] -version = "0.1.0" +version = "0.0.11" [deps] ArnoldiMethod = "ec485272-7323-5ecc-a04f-4719b315124d" From 9667a018f41059b640b900db855812bfc50ec25e Mon Sep 17 00:00:00 2001 From: Shuhei Ohno Date: Mon, 10 Aug 2026 23:55:35 +0900 Subject: [PATCH 3/4] Update v0.0.11 release notes --- NEWS.md | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/NEWS.md b/NEWS.md index 477110b..da6b0a4 100644 --- a/NEWS.md +++ b/NEWS.md @@ -38,6 +38,9 @@ have been removed rather than retained as aliases: | `FunctionPotential` | `Custom` | | `UniformGridPotential` | `Tabulated` | +The reduced Planck constant argument and related public identifiers have also +been renamed from `ℏ` to the ASCII spelling `hbar`. + For example, update ```julia @@ -51,7 +54,7 @@ to ```julia Hamiltonian( - Kinetic(ℏ=1, m=1), + Kinetic(hbar=1, m=1), Coulomb(coefficient=-1), ) ``` @@ -72,3 +75,4 @@ Hamiltonian( - #23 — Simplify Hamiltonian operator names. - #24 — Fix documentation deployment after the repository transfer. - #25 — Make database documentation examples executable. +- #27 — Rename `ℏ` to `hbar` throughout the public API. From 362d547e912acaef12816b6b1d11360954f85415 Mon Sep 17 00:00:00 2001 From: Shuhei Ohno Date: Tue, 11 Aug 2026 00:18:34 +0900 Subject: [PATCH 4/4] Remove release notes --- NEWS.md | 78 --------------------------------------------------------- 1 file changed, 78 deletions(-) delete mode 100644 NEWS.md diff --git a/NEWS.md b/NEWS.md deleted file mode 100644 index da6b0a4..0000000 --- a/NEWS.md +++ /dev/null @@ -1,78 +0,0 @@ -# TwoBody.jl release notes - -## v0.0.11 — 2026-08-10 - -TwoBody.jl v0.0.11 adds variational Monte Carlo calculations and a benchmark -Hamiltonian database, improves the Rayleigh–Ritz workflow, and simplifies the -public operator API. This release contains breaking API changes; see the -migration notes below. - -### Highlights - -- Added `VariationalMonteCarlo` with symmetric Metropolis sampling, burn-in, - thinning, multiple walkers, reproducible random-number generation, sampling - diagnostics, and ForwardDiff-based local-energy evaluation. -- Added a benchmark Hamiltonian database with lookup and registration support - for reusable physical systems. -- Improved Rayleigh–Ritz results and examples, including updated Antique.jl - integration. -- Added tested VMC and database guides and made database examples executable in - Documenter. - -### Breaking changes - -Hamiltonian operator types now use concise mathematical names. The old names -have been removed rather than retained as aliases: - -| Before | v0.0.11 | -| --- | --- | -| `NonRelativisticKinetic` | `Kinetic` | -| `ConstantPotential` | `Constant` | -| `LinearPotential` | `Linear` | -| `CoulombPotential` | `Coulomb` | -| `PowerLawPotential` | `PowerLaw` | -| `GaussianPotential` | `Gaussian` | -| `ExponentialPotential` | `Exponential` | -| `YukawaPotential` | `Yukawa` | -| `DeltaPotential` | `Delta` | -| `FunctionPotential` | `Custom` | -| `UniformGridPotential` | `Tabulated` | - -The reduced Planck constant argument and related public identifiers have also -been renamed from `ℏ` to the ASCII spelling `hbar`. - -For example, update - -```julia -Hamiltonian( - NonRelativisticKinetic(ℏ=1, m=1), - CoulombPotential(coefficient=-1), -) -``` - -to - -```julia -Hamiltonian( - Kinetic(hbar=1, m=1), - Coulomb(coefficient=-1), -) -``` - -### Compatibility and maintenance - -- Updated Antique.jl examples and tests for Antique.jl 0.15. -- Fixed documentation deployment after the repository moved to the - `JuliaFewBody` organization. -- Updated stable, development, repository, and documentation links for the new - repository location. - -### Included pull requests - -- #16 — Add the benchmark Hamiltonian database. -- #19 — Update Antique.jl test API usage. -- #22 — Add variational Monte Carlo. -- #23 — Simplify Hamiltonian operator names. -- #24 — Fix documentation deployment after the repository transfer. -- #25 — Make database documentation examples executable. -- #27 — Rename `ℏ` to `hbar` throughout the public API.