0.4.0

Cargo.toml

@@ -1,7 +1,13 @@
 [package]
-name = "gram-schmidt"
-version = "0.3.1"
+name = "gramschmidt"
+version = "0.4.0"
 authors = ["Richard Janis Goldschmidt <[email protected]>"]
+license = "MIT"
+description = "Classical, Modified, Reorthogonalized Gram Schmidt Orthogonalization and QR decompostion"
+keywords = ["gramschmidt", "qr", "cgs", "mgs", "cgs2"]
+categories = ["science", "algorithms"]
+repository = "https://github.com/SuperFluffy/gramschmidt-rs"
+readme = "README.md"
 
 [dependencies]
 ndarray = "0.11"
@@ -10,19 +16,10 @@ ndarray = "0.11"
 version = "0.1.5"
 default-features = false
 
-# [dependencies.ndarray-parallel]
-# version = "0.7"
-# optional = true
-
 [dev-dependencies]
 lazy_static = "1.0"
 ndarray-rand = "0.7"
 rand = "0.4"
 
 [dev-dependencies.openblas-src]
 version = "0.5.6"
-
-# [features]
-# parallel = ["ndarray-parallel"]
-
-# test = ["parallel"]

README.md

@@ -1,11 +1,46 @@
 # Gram Schmidt Orthonormalizatoin
 
-Orthogonalization and normalization of matrices in the Rust programming language and `rust-ndarray`.
+Orthogonalization and QR decomposition of matrices in the Rust programming language and `rust-ndarray`.
 
-To be included in `linxal`.
+This crate provides the following methods:
+
++ Classical Gram Schmidt, `cgs`,
++ Modified Gram Schmidt, `mgs`,
++ Classical Gram Schmidt with Reorthogonalization, `cgs2`.
+
+# Usage
+
+```rust
+extern crate gramschmidt;
+extern crate ndarray;
+
+// Import openblas_src or another blas source to have the linker find all symbols.
+extern crate openblas_src;
+
+fn main() {
+    let small_matrix = arr2(
+        &[[2.0, 0.5, 0.0, 0.0],
+          [0.0, 0.3, 0.0, 0.0],
+          [0.0, 1.0, 0.7, 0.0],
+          [0.0, 0.0, 0.0, 3.0]]
+    );
+    let mut cgs2 = ReorthogonalizedGramSchmidt::from_matrix(&small_matrix);
+    cgs2.compute(&small_matrix);
+    assert!(small_matrix.all_close(&cgs2.q().dot(cgs2.r()), 1e-14));
+}
+```
 
 # Recent versions
 
++ `0.4.0`: Major rework of the library structure:
+    + The algorithms are now configured via structs, the traits are dropped.
+    + Provide the structs `ClassicalGramSchmidt`, `ModifiedGramSchmidt`, and
+  `ReorthogonalizedGramSchmidt` (known as `cgs`, `mgs`, and `cgs2` in the
+  literature, respectively);
+    + `cgs` and `cgs2` are implemented using `blas` routines (major speedup!);
+    + All routines are now able to handle column-major (Fortran-) and row-major (C-) order
+    of the input matrices;
+    + Remove parallel code.
 + `0.3.1`: Update to `blas 0.16` and do not specify a default backend (so that the user can set it).
 + `0.3.0`: Update to `ndarray 0.10`, `ndarray-parallel 0.5`
 + `0.2.1`: Added a parallelized algorithm using `rayon`