Traits

.gitignore

@@ -3,3 +3,5 @@ target
 tags
 data*
 .ropeproject
+target
+Cargo.lock

.travis.yml

@@ -0,0 +1,4 @@
+language: rust
+rust:
+  - stable
+  - beta

Cargo.toml

@@ -1,17 +1,13 @@
 [package]
 name = "vegas-rs"
-version = "0.1.0"
-authors = ["Oscar David Arbeláez Echeverri <[email protected]>"]
-description = "Atomistic magnetic system simulation in rust"
-license = "GPL-3.0"
-
-[lib]
-name = "vegas"
-path = "src/vegas/lib.rs"
-
-[[bin]]
-name = "vegas"
-path = "src/bin/main.rs"
+version = "0.0.1"
+authors = ["Oscar Arbelaeze <@odarbelaeze>"]
+description = "Little Monte Carlo code in rust"
+keywords = ["Monte Carlo", "MCMC", "physics"]
+readme = "README.md"
+repository = "https://github.com/odarbelaeze/vegas-rs"
+documentation = "https://github.com/odarbelaeze/vegas-rs"
+license = "MIT"
 
 [dependencies]
 rand = "0.3"

LICENSE.txt

@@ -0,0 +1,21 @@
+MIT License
+
+Copyright (c) 2017 Oscar David Arbelaez, PCM Computational Applications
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

README.md

@@ -3,3 +3,5 @@
 This is an experimental implementation of an atomistic simulation paclage for
 magnetic systems. **vegas-rs**'s main goal is to determine how performant is
 the [rust](www.rust-lang.com) language for this kind of application.
+
+Read more about the [vegas project](https://pcm-ca.github.io/vegas/)

benches/bench_energy.rs

@@ -0,0 +1,41 @@
+#![feature(test)]
+extern crate vegas_rs;
+extern crate test;
+
+use vegas_rs::state::{Spin, HeisenbergSpin, State};
+use vegas_rs::energy::{Gauge, UniaxialAnisotropy, EnergyComponent, CompoundEnergy};
+
+
+#[bench]
+fn gauge_energy_of_a_1_k_heisenberg_state(b: &mut test::Bencher) {
+    let state = State::<HeisenbergSpin>::rand_with_size(1_000);
+    let gauge = Gauge::new(1.0);
+    b.iter(|| {
+        let energy = gauge.total_energy(&state);
+        assert!(energy == 1_000.0);
+    })
+}
+
+
+#[bench]
+fn anisotropy_energy_of_a_1k_heisenberg_state(b: &mut test::Bencher) {
+    let state = State::<HeisenbergSpin>::up_with_size(1_000);
+    let anisotropy = UniaxialAnisotropy::new(HeisenbergSpin::up(), 1.0);
+    b.iter(|| {
+        let energy = anisotropy.total_energy(&state);
+        assert!(energy == 1_000.0);
+    })
+}
+
+
+#[bench]
+fn compound_energy_hit_1k_heisenberg(b: &mut test::Bencher) {
+    let state = State::<HeisenbergSpin>::up_with_size(1_000);
+    let gauge = Gauge::new(1.0);
+    let anisotropy = UniaxialAnisotropy::new(HeisenbergSpin::up(), 1.0);
+    let compound = CompoundEnergy::new(gauge, anisotropy);
+    b.iter(|| {
+        let energy = compound.total_energy(&state);
+        assert!(energy == 2_000.0);
+    })
+}

benches/bench_integration.rs

@@ -0,0 +1,44 @@
+#![feature(test)]
+
+#[macro_use] extern crate vegas_rs;
+extern crate test;
+
+use vegas_rs::state::{Spin, IsingSpin, HeisenbergSpin, State};
+use vegas_rs::energy::{Gauge, UniaxialAnisotropy};
+use vegas_rs::integrator::{Integrator, MetropolisIntegrator};
+
+
+#[bench]
+fn integration_of_1k_heisenberg_spin_with_gauge(b: &mut test::Bencher) {
+    let gauge = Gauge::new(1.0);
+    let integrator = MetropolisIntegrator::new(3.0);
+    let mut state = State::<HeisenbergSpin>::rand_with_size(1_000);
+    b.iter(|| {
+        state = integrator.step(&gauge, &state)
+    })
+}
+
+
+#[bench]
+fn integration_of_1k_ising_spin_with_gauge(b: &mut test::Bencher) {
+    let gauge = Gauge::new(1.0);
+    let integrator = MetropolisIntegrator::new(3.0);
+    let mut state = State::<IsingSpin>::rand_with_size(1_000);
+    b.iter(|| {
+        state = integrator.step(&gauge, &state)
+    })
+}
+
+
+#[bench]
+fn integration_of_1k_heisenberg_spin_with_compound_energy(b: &mut test::Bencher) {
+    let hamiltonian = hamiltonian!(
+        Gauge::new(1.0),
+        UniaxialAnisotropy::new(HeisenbergSpin::up(), 10.0)
+    );
+    let integrator = MetropolisIntegrator::new(3.0);
+    let mut state = State::<HeisenbergSpin>::rand_with_size(1_000);
+    b.iter(|| {
+        state = integrator.step(&hamiltonian, &state)
+    })
+}

benches/bench_spin.rs

@@ -0,0 +1,31 @@
+#![feature(test)]
+extern crate vegas_rs;
+extern crate test;
+
+use vegas_rs::state::{Spin, IsingSpin, HeisenbergSpin, State};
+
+
+#[bench]
+fn create_1k_ising_spins(b: &mut test::Bencher) {
+    b.iter(|| {
+        for _ in 0..1_000 {
+            let _spin = IsingSpin::rand();
+        }
+    });
+}
+
+#[bench]
+fn create_1k_heisenberg_spins(b: &mut test::Bencher) {
+    b.iter(|| {
+        for _ in 0..1_000 {
+            let _spin = HeisenbergSpin::rand();
+        }
+    });
+}
+
+#[bench]
+fn create_a_1k_spin_state(b: &mut test::Bencher) {
+    b.iter(|| {
+        let _state = State::<HeisenbergSpin>::rand_with_size(1_000);
+    })
+}