Merge pull request #113 from SotaYoshida/dev

Dev

Manifest.toml

@@ -2,7 +2,7 @@
 
 julia_version = "1.10.0"
 manifest_format = "2.0"
-project_hash = "395d46e75f99ea51aa5c4a1c59667cca84be5c3a"
+project_hash = "0f8ce17359409f799c28940c96570dda0c8ecfc0"
 
 [[deps.Adapt]]
 deps = ["LinearAlgebra", "Requires"]
@@ -102,9 +102,9 @@ weakdeps = ["SparseArrays"]
 
 [[deps.CodecZlib]]
 deps = ["TranscodingStreams", "Zlib_jll"]
-git-tree-sha1 = "cd67fc487743b2f0fd4380d4cbd3a24660d0eec8"
+git-tree-sha1 = "59939d8a997469ee05c4b4944560a820f9ba0d73"
 uuid = "944b1d66-785c-5afd-91f1-9de20f533193"
-version = "0.7.3"
+version = "0.7.4"
 
 [[deps.ColorSchemes]]
 deps = ["ColorTypes", "ColorVectorSpace", "Colors", "FixedPointNumbers", "PrecompileTools", "Random"]

Project.toml

@@ -1,12 +1,14 @@
 name = "NuclearToolkit"
 uuid = "89bb3bae-bcec-43ae-87b7-9dd181dc6334"
 authors = ["SotaYoshida <[email protected]> and contributors"]
-version = "0.3.7"
+version = "0.4.0"
 
 [deps]
 Arpack = "7d9fca2a-8960-54d3-9f78-7d1dccf2cb97"
 AssociatedLegendrePolynomials = "2119f1ac-fb78-50f5-8cc0-dda848ebdb19"
+CodecZlib = "944b1d66-785c-5afd-91f1-9de20f533193"
 Combinatorics = "861a8166-3701-5b0c-9a16-15d98fcdc6aa"
+DocStringExtensions = "ffbed154-4ef7-542d-bbb7-c09d3a79fcae"
 FLoops = "cc61a311-1640-44b5-9fba-1b764f453329"
 Glob = "c27321d9-0574-5035-807b-f59d2c89b15c"
 HDF5 = "f67ccb44-e63f-5c2f-98bd-6dc0ccc4ba2f"
@@ -17,6 +19,7 @@ LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
 MKL = "33e6dc65-8f57-5167-99aa-e5a354878fb2"
 MPI = "da04e1cc-30fd-572f-bb4f-1f8673147195"
 Measures = "442fdcdd-2543-5da2-b0f3-8c86c306513e"
+Parsers = "69de0a69-1ddd-5017-9359-2bf0b02dc9f0"
 Plots = "91a5bcdd-55d7-5caf-9e0b-520d859cae80"
 Printf = "de0858da-6303-5e67-8744-51eddeeeb8d7"
 Random = "9a3f8284-a2c9-5f02-9a11-845980a1fd5c"
@@ -29,20 +32,23 @@ WignerSymbols = "9f57e263-0b3d-5e2e-b1be-24f2bb48858b"
 [compat]
 Arpack = "0.5"
 AssociatedLegendrePolynomials = "1"
+CodecZlib="0.7"
 Combinatorics = "1"
+DocStringExtensions="0.9"
 FLoops = "0.2"
 Glob = "1"
 HDF5 = "0.16, 0.17"
 KrylovKit = "0.6"
 LaTeXStrings = "1"
 LatinHypercubeSampling = "1.8"
-Measures = "0.3"
 MKL = "0.6"
 MPI = "0.19, 0.20"
+Measures = "0.3"
 Plots = "1"
-SpecialFunctions = "1.8, 2"
+Parsers = "2.8"
+SpecialFunctions = "2"
 Statistics = "1"
 StatsBase = "0.33, 0.34"
 TimerOutputs = "0.5"
-WignerSymbols = "1.1, 2"
+WignerSymbols = "2"
 julia = "1.8"

README.md

@@ -2,7 +2,7 @@
 
 [![Stable](https://img.shields.io/badge/docs-stable-blue.svg)](https://SotaYoshida.github.io/NuclearToolkit.jl/stable)
 [![Dev](https://img.shields.io/badge/docs-dev-blue.svg)](https://SotaYoshida.github.io/NuclearToolkit.jl/dev)
-[![Build Status](https://github.com/SotaYoshida/NuclearToolkit.jl/actions/workflows/CI.yml/badge.svg?branch=main)](https://github.com/SotaYoshida/NuclearToolkit.jl/actions/workflows/CI.yml?query=branch%3Amain)
+[![Build Status](https://github.com/SotaYoshida/NuclearToolkit.jl/actions/workflows/CI.yml/badge.svg?branch=dev)](https://github.com/SotaYoshida/NuclearToolkit.jl/actions/workflows/CI.yml?branch=dev)
 [![DOI](https://joss.theoj.org/papers/10.21105/joss.04694/status.svg)](https://doi.org/10.21105/joss.04694)
 <img src="https://github.com/SotaYoshida/NuclearToolkit.jl/blob/main/docs/src/assets/logo_full.png" width=60%>
 

docs/src/ChiEFTint.md

@@ -16,6 +16,7 @@ Pages = ["chiEFTint/main_chiEFTint.jl",
          "chiEFTint/renorm.jl",
          "chiEFTint/valence.jl",         
          "chiEFTint/eff3nf.jl",
+	     "chiEFTint/read_me3j.jl",
          "chiEFTint/dict_LECs.jl"
 ]
 ``` 

docs/src/index.md

@@ -36,23 +36,22 @@ In the author's personal opinion, it would be too difficult for students (especi
 The author thought the Julia language can be a game changer to this situation with its high readbility, portabillity, and performance. Since all the source code in NuclearToolkit.jl is a pure Julia implementation, there is no more need to prepare different Makefiles for different environments, worry about library dependencies, homemade Python script to run the Fortran/C++ codes. The code can be easily executed on either a laptop or a supercomputer.
 While NuclearToolkit covers a wide range of methods, the overall code length is still in a few tens of thousands, including "docstring" to generate the document.
 
-- [ChiEFTint](ChiEFTint.md): NN interaction from Chiral EFT ~ 6,000 lines.
-  - EM (Entem & Machleidt) N3L0
-  - EMN (Entem, Machleidt, Nosyc) N4LO
+- [ChiEFTint](ChiEFTint.md): NN interaction from Chiral EFT ~ 9,000 lines.
+  - NN interactions such as EM (Entem & Machleidt) N3L0, EMN (Entem, Machleidt, Nosyc) N4LO, NNLOsat
   - Density-Dependent NN from 3NF (The author prefers to call it "2n3n" to distinguish with genuine 3NF)
-  - valence chiral EFT potential upto LO
-- [Hartreefock](HartreeFock.md): Hartree-Fock (HF) and HF Many-Body Perturbation Theory (HFMBPT)  ~ 3,000 lines.
+  - valence chiral EFT potential upto LO (no longer maintained)
+- [Hartreefock](HartreeFock.md): Hartree-Fock (HF) and HF Many-Body Perturbation Theory (HFMBPT)  ~ 3,500 lines.
   - Energy (up to 3rd order)
   - Scaler operator (up to 2nd order)
-- [IMSRG](IMSRG.md): In-medium Similarity Renormalization Group (IMSRG)  ~ 2,000 lines.
+- [IMSRG](IMSRG.md): In-medium Similarity Renormalization Group (IMSRG)  ~ 2,800 lines.
   - IMSRG(2) calc. for ground state energy
-  - consistent IMSRG(2) flow of (scaler) operator
+  - consistent IMSRG(2) flow of (scaler) operator using Magnus formulation
   - Valence-space IMSRG (VS-IMSRG)
     - derive effective interaction for shell-model calculations
     - consistent VSIMSRG flow to get effective operators 
-- [ShellModel.jl](ShellModel.md) ~ 5,000 lines.
+- [ShellModel.jl](ShellModel.md) ~ 6,500 lines.
   This was originally developed as [an independent package] (https://github.com/SotaYoshida/ShellModel.jl).
-  - shell model calculations
+  - shell model calculations on a single major shell
   - construct approximate wavefunctions with eigenvector continuation 
 
 ## Optional parameters