sarkas.tools.observables.calc_nk

sarkas.tools.observables.calc_nk(pos_data, k_list)

Calculate the instantaneous microscopic density \(n(k)\) defined as

\[n_{A} ( k ) = \sum_i^{N_A} \exp [ -i \mathbf k \cdot \mathbf r_{i} ]\]

Parameters

• pos_data (numpy.ndarray) – Particles’ position scaled by the box lengths. Shape = ( no_dumps, no_dim, tot_no_ptcls)

• k_list (list) – List of \(k\) indices in each direction with corresponding magnitude and index of ka_counts. Shape=(no_ka_values, 5)

Returns

nk (numpy.ndarray) – Array containing \(n(k)\).