diff --git a/Jaslo/sheet6.py b/Jaslo/sheet6.py index a9123c93b96ac08da623123b09e1374c5ccd6e8f..bd03270e9fd94377c70f96feed0a362148f213e8 100644 --- a/Jaslo/sheet6.py +++ b/Jaslo/sheet6.py @@ -5,6 +5,7 @@ import matplotlib.pyplot as plt import numpy as np from numpy.typing import ArrayLike from scipy.constants import Boltzmann as k_B +from tqdm import tqdm # Problem 6.1 # a) @@ -53,7 +54,7 @@ def verlet_thermostat( f, U[0] = force(r[0], L) - for i in range(1, N): + for i in tqdm(range(1, N)): # first half step p[i] = p[i-1] + 1/2 * f * dt r[i] = r[i-1] + p[i] / m * dt @@ -94,7 +95,7 @@ def verlet( f, U[0] = force(r[0], L) - for i in range(1, N): + for i in tqdm(range(1, N)): # first half step p[i] = p[i-1] + 1/2 * f * dt r[i] = r[i-1] + p[i] / m * dt @@ -179,7 +180,7 @@ T = 1 / (2 * m0) * np.sum(p**2, axis=(1, 2)) H = U + T dH = H - np.mean(H) c_V = np.mean(dH**2) / (N * k_BT**2) -dc_V = bp.std(dH**2) / (N * k_BT**2) +dc_V = np.std(dH**2) / (N * k_BT**2) print(f"c_V = {c_V} ± {dc_V} k_B") # c) @@ -210,5 +211,5 @@ T = 1 / (2 * m0) * np.sum(p**2, axis=(1, 2)) H = U + T dH = H - np.mean(H) c_V = np.mean(dH**2) / (N * k_BT**2) -dc_V = bp.std(dH**2) / (N * k_BT**2) +dc_V = np.std(dH**2) / (N * k_BT**2) print(f"c_V = {c_V} ± {dc_V} k_B")