rename to duello

Author: mlund

src/anglescan.rs

@@ -242,7 +242,7 @@ pub fn make_icosphere(min_points: usize) -> Result<Subdivided<(), IcoSphereBase>
 ///
 /// ## Examples
 /// ~~~
-/// use virialize::anglescan;
+/// use duello::anglescan;
 /// let vertices = anglescan::make_icosphere_vertices(20).unwrap();
 /// assert_eq!(vertices.len(), 42);
 /// ~~~

src/main.rs

@@ -2,7 +2,7 @@ use anyhow::Result;
 use clap::{Parser, Subcommand};
 use coulomb::{permittivity, DebyeLength, Medium, Salt, Vector3};
 use faunus::{energy::NonbondedMatrix, topology::Topology};
-use virialize::{
+use duello::{
     anglescan::do_anglescan, energy, icoscan, icotable::IcoTable, structure::Structure,
     to_cartesian, to_spherical, UnitQuaternion,
 };
@@ -309,7 +309,7 @@ fn do_potential(cmd: &Commands) -> Result<()> {
     let structure = Structure::from_xyz(mol1, topology.atomkinds());
 
     let n_points = (4.0 * PI / resolution.powi(2)).round() as usize;
-    let vertices = virialize::make_icosphere_vertices(n_points)?;
+    let vertices = duello::make_icosphere_vertices(n_points)?;
     let resolution = (4.0 * PI / vertices.len() as f64).sqrt();
     log::info!(
         "Requested {} points on a sphere; got {} -> new resolution = {:.2}",

src/structure.rs

@@ -272,7 +272,7 @@ pub fn mass_center(
 /// # Examples:
 /// ~~~
 /// use nalgebra::Vector3;
-/// use virialize::structure::{inertia_tensor, mass_center};
+/// use duello::structure::{inertia_tensor, mass_center};
 ///
 /// let masses: Vec<f64> = vec![1.0, 1.0, 2.0];
 /// let pos = [