Arbitrary-shape dielectric particles interacting in the linearized Poisson-Boltzmann framework: an analytical treatment

DOI10.5281/zenodo.7429188Zenodo7429188MaRDI QIDQ6692700FDOQ6692700

Dataset published at Zenodo repository.

Walter Rocchia, Sergii Siryk

Publication date: 4 August 2022

Copyright license: Creative Commons Attribution 4.0 International

Description

h_kmlsn.mat -- the coefficients hkmls,ncalculated for n_max=50: one has hkmls,n= hkmlsn(k+1,m+1,l+1,s+1,n+1), where hkmlsn is a5D array contained in h_kmlsn.mat (note that MATLAB indices must start from 1, while mathematically indices k, m, l, s, and n are =0). b_nml_approx.m -- it approximates $b_{nml}(\tilde r,\tilde R)$ with a given parameter n_max; derivative_b_nml_approx.m -- it approximates the derivative of $b_{nml}(\tilde r,\tilde R)$ with respect to $\tilde r$ with a given parameter n_max; linear_system_two_bodies_direct_backslash.m -- a simple example of forming the global linear system (14) and solving it directly (without regularization) using the MATLAB mldivide (or backslash) operation GSK3beta.zip -- zipped directory with DelPhi files related to Sec. 5.1.3 (see ReadmeGSK3beta.txt); Arginine-Glutamate -- zipped directory with DelPhi files related to Sec. 5.1.4 (see ReadmeARGGlu.txt)

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