bauer/lj_monte_carlo
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fixed some output problems

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danijoo
2017-01-22 01:40:47 +01:00
parent f1c1fb7306
commit 9767d3bab4
1 changed files with 7 additions and 7 deletions
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14
src/main.rs
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@@ -222,7 +222,7 @@ fn main() {
if step < minim_steps && step_counter % 5000 == 0 && step != 0 { if step < minim_steps && step_counter % 5000 == 0 && step != 0 {
let tries_per_step : f64 = step_counter as f64 /accept_counter as f64; let tries_per_step : f64 = step_counter as f64 /accept_counter as f64;
let acceptance_rate = 1.0/tries_per_step * 100.0; 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 { if SCALE {
let scale_factor = (TRIES_INTENDED/tries_per_step * DISP_SCALE_FACTOR).abs(); 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 { 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 // 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; let final_acceptance_rate = 1.0/((accept_counter as f64)/(step_counter as f64)) * 100.0;
println_stderr!("Done sampling!"); println_stderr!("Done sampling!");
println!(""); println_stderr!("");
println!("################################################################"); println_stderr!("################################################################");
println!("########################## Results ###########################"); println_stderr!("########################## Results ###########################");
println!("################################################################"); println_stderr!("################################################################");
println!(""); println_stderr!("");
println!( println!(
"Minimization: {} "Minimization: {}
Steps: {} Steps: {}