cp2k-rs 0.2.0

Rust bindings for CP2K with Python interface
Documentation 
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//! Simplest possible test for CP2K-RS
//!
//! Just tests if we can create a ForceEnv without crashing

use cp2k_rs::{finalize, get_version, init};

fn main() -> Result<(), Box<dyn std::error::Error>> {
    println!("CP2K-RS Simple Test");
    println!("===================");

    // Initialize CP2K
    println!("Initializing CP2K...");
    init()?;
    println!("✓ CP2K initialized successfully");

    // Get and print CP2K version
    match get_version() {
        Ok(version) => println!("✓ CP2K Version: {}", version),
        Err(e) => println!("✗ Could not get CP2K version: {}", e),
    }

    // Finalize CP2K
    println!("Finalizing CP2K...");
    finalize()?;
    println!("✓ CP2K finalized successfully");

    println!("✓ All tests passed!");
    Ok(())
}