Lattice provided to BZ functions is now the real-space lattice.

.gitignore

@@ -22,3 +22,5 @@ docs/site/
 # committed for packages, but should be committed for applications that require a static
 # environment.
 Manifest.toml
+
+notebooks

.travis.yml

@@ -0,0 +1,24 @@
+language: julia
+
+install:
+  - pip3 install scipy
+
+os:
+  - osx
+
+julia:
+  - 1.4
+
+notifications:
+  email: false
+
+script:
+  - julia --project --check-bounds=yes -e 'import Pkg; Pkg.build();
+      Pkg.activate("."); Pkg.test("IBZ", coverage=true)'
+
+after_success:
+  - julia --project ./docs/make.jl
+  - julia -e 'using Pkg; Pkg.add("Coverage"); using Coverage;
+      Coveralls.submit(process_folder())'
+
+coveralls: true

Project.toml

@@ -1,14 +1,21 @@
 name = "IBZ"
 uuid = "49a35663-c880-4242-bebb-1ec8c0fa8046"
-authors = ["John Christensen <johnedchristensen@gmail.com>"]
+authors = ["Jeremy Jorgensen <jerjorg@gmail.com>"]
 version = "0.1.0"
 
 [deps]
 CDDLib = "3391f64e-dcde-5f30-b752-e11513730f60"
 Combinatorics = "861a8166-3701-5b0c-9a16-15d98fcdc6aa"
+Coverage = "a2441757-f6aa-5fb2-8edb-039e3f45d037"
 Distances = "b4f34e82-e78d-54a5-968a-f98e89d6e8f7"
 Distributions = "31c24e10-a181-5473-b8eb-7969acd0382f"
+Documenter = "e30172f5-a6a5-5a46-863b-614d45cd2de4"
+DocumenterTools = "35a29f4d-8980-5a13-9543-d66fff28ecb8"
 LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
 Polyhedra = "67491407-f73d-577b-9b50-8179a7c68029"
 PyCall = "438e738f-606a-5dbb-bf0a-cddfbfd45ab0"
+PyPlot = "d330b81b-6aea-500a-939a-2ce795aea3ee"
 QHull = "a8468747-bd6f-53ef-9e5c-744dbc5c59e7"
+Revise = "295af30f-e4ad-537b-8983-00126c2a3abe"
+StaticArrays = "90137ffa-7385-5640-81b9-e52037218182"
+Test = "8dfed614-e22c-5e08-85e1-65c5234f0b40"

README.md

@@ -1,6 +1,5 @@
-# IBZ
-A julia package for calculating the Irreducible Brillouin zone (IBZ) for any lattice.
-
-Utilizes [phenumlib]( https://github.com/wsmorgan/phonon-enumeration) through [PyCall](https://github.com/JuliaPy/PyCall.jl) to get the point group.
+[![Build Status](https://travis-ci.org/jerjorg/IBZ.svg?branch=master)](https://travis-ci.org/jerjorg/IBZ) [![Coverage Status](https://coveralls.io/repos/github/jerjorg/IBZ/badge.svg?branch=master)](https://coveralls.io/github/jerjorg/IBZ?branch=master)
 
-Phenumlib and PyCall need to be installed.
+# IBZ
+A julia package for calculating the Irreducible Brillouin zone (IBZ) of a 2D or
+3D crystal structure.

docs/make.jl

@@ -0,0 +1,12 @@
+push!(LOAD_PATH,"../src/")
+using Documenter, IBZ
+
+makedocs(sitename="IBZ",
+         format = Documenter.HTML(prettyurls = false),
+         modules = [IBZ],
+         authors = "Jeremy Jorgensen",
+         pages=["index.md", "Documentation.md", "Usage.md"])
+
+# deploydocs(
+#    repo = "github.com/jerjorg/IBZ.jl.git",
+# )

docs/src/Documentation.md

@@ -0,0 +1,53 @@
+# Documentation
+
+## Index
+
+### Lattices
+```@index
+Modules = [IBZ.Lattices]
+Order   = [:function, :type]
+```
+
+### Plotting
+```@index
+Modules = [IBZ.Plotting]
+Order   = [:function, :type]
+```
+
+### Symmetry
+```@index
+Modules = [IBZ.Symmetry]
+Order   = [:function, :type]
+```
+
+### Utilites
+```@index
+Modules = [IBZ.Utilities]
+Order   = [:function, :type]
+```
+
+## Functions
+
+### Lattices
+```@autodocs
+Modules = [IBZ.Lattices]
+Order   = [:function, :type]
+```
+
+### Plotting
+```@autodocs
+Modules = [IBZ.Plotting]
+Order   = [:function, :type]
+```
+
+### Symmetry
+```@autodocs
+Modules = [IBZ.Symmetry]
+Order   = [:function, :type]
+```
+
+### Utilities
+```@autodocs
+Modules = [IBZ.Utilities]
+Order   = [:function, :type]
+```

docs/src/Usage.md

@@ -0,0 +1,37 @@
+# User guide
+
+`IBZ.jl` calculates the irreducible Brillouin zone (IBZ) of a crystal structure
+in 2D and 3D. It also contains functions related to the symmetry of lattices and
+lattice reduction. Later on, it will be able to calculate high symmetry points
+and paths within the IBZ.
+
+To calculate the IBZ, simply provide the lattice and atomic basis to `calc_ibz`.
+The IBZ will be returned as either a convex hull or intersection of half spaces.
+```@example
+using IBZ # hide
+a = 1.0;
+real_latvecs = genlat_CUB(a)
+atom_types = [0,0]
+atom_pos = Array([0 0 0; 0.5 0.5 0.5]')
+ibzformat = "convex hull"
+coordinates = "Cartesian"
+convention = "ordinary"
+ibz = calc_ibz(real_latvecs,atom_types,atom_pos,coordinates,ibzformat,
+  convention)
+```
+The columns of `real_latvecs` are the lattice generating vectors, the columns
+of `atom_pos` are the positions of the atoms in Cartesian coordinates (in this
+case), `coordinates` are the coordinates of the atom positions, and `convention`
+gives the convention for going from real to reciprocal space (whether or not to
+multiply by 2π). There is a simple function for visualizing the IBZ along with
+the Brillouin zone (BZ).
+```@example
+using IBZ # hide
+a = 1.0 # hide
+real_latvecs = genlat_CUB(a) # hide
+atom_types = [0,0] # hide
+atom_pos = Array([0 0 0; 0.5 0.5 0.5]') # hide
+coordinates = "Cartesian" # hide
+convention = "ordinary" # hide
+plot_cells(real_latvecs,atom_types,atom_pos,coordinates,convention)
+```

docs/src/index.md

@@ -0,0 +1,9 @@
+# Home
+
+`IBZ.jl` is a julia package for calculating the irreducible Brillouin zone. It
+also contains methods related to the symmetry of lattices and lattice reduction.
+
+```@contents
+Pages = ["Usage.md", "Documentation.md"]
+depth = 5
+```