Commit ac6bb441 by Olaf

### remove unused pressure calculation

parent 7dc8cfff
 ... ... @@ -3,36 +3,6 @@ import numpy as np import math def pressure(X, F, L, kbT): """ Calculates the pressure inside the particle box at each time step. Formula from Exercize 8.3.c from the book "Molecular Dynamics" (see background reading at GitLab). Last modified: 6-3-2019 Parameters ---------- X : ((N_time_steps, N_particles, N_dimensions) np.array, natural units) Matrix with the position of each particle at each time step F : ((N_time_steps, N_particles, N_dimensions) np.array, natural units) Matrix with the force at each particle at each time step L : scalar Length of the particle box (natural units) kbT : scalar Energy, kb*T/epsilon (natural units) Returns ------- P : ((N_time_steps) np.array) Array with the pressure inside the particle box at each time step """ P = np.zeros(X.shape[0]) for t in range(X.shape[0]): P[t] = X.shape[1]*kbT/(L**3) + 1/(3*L**3)*np.sum(np.sum(X[t]*F[t], axis=1)) # return return P def pressure_coll(D, V, L, kbT, h): """ Calculates the pressure inside the particle box at each time step, based on collisions. Formula from Exercize 8.3.c from the book "Molecular Dynamics" (see background reading at GitLab). ... ...
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