diff --git a/src/main.rs b/src/main.rs index 0d4250b..25ab1a6 100644 --- a/src/main.rs +++ b/src/main.rs @@ -222,7 +222,7 @@ fn main() { if step < minim_steps && step_counter % 5000 == 0 && step != 0 { let tries_per_step : f64 = step_counter as f64 /accept_counter as f64; let acceptance_rate = 1.0/tries_per_step * 100.0; - println_stderr!("Minim {:<10} Energy: {:<12.3} Virial: {:<12.3} Acceptance: {:<4.1}% Displacement: {:.3}", step, energy, virial, acceptance_rate, displacement); + println_stderr!("Minim {:<10} Energy: {:<30.3} Accept.: {:<4.1}% dr: {:.3}", step+1, energy, acceptance_rate, displacement); if SCALE { let scale_factor = (TRIES_INTENDED/tries_per_step * DISP_SCALE_FACTOR).abs(); @@ -250,7 +250,7 @@ fn main() { } if step > minim_steps && step_counter % 5000 == 0 { - println_stderr!("Step {:<10}Energy: {:<12.3}Virial: {:<12.3}", step_counter, energy, virial); + println_stderr!("Step {:<10} Energy: {:<30.3}", step_counter, energy); } // write trajectory maybe @@ -270,11 +270,11 @@ fn main() { let final_acceptance_rate = 1.0/((accept_counter as f64)/(step_counter as f64)) * 100.0; println_stderr!("Done sampling!"); - println!(""); - println!("################################################################"); - println!("########################## Results ###########################"); - println!("################################################################"); - println!(""); + println_stderr!(""); + println_stderr!("################################################################"); + println_stderr!("########################## Results ###########################"); + println_stderr!("################################################################"); + println_stderr!(""); println!( "Minimization: {} Steps: {}