Software

Here you can find links to image galleries created by programs/suites I have been working on during the last few years. If you are interested in getting a beta version of the program(s)/suite, please do not hesitate to contact me (jmsolanoalt<###>gmail…com ; please change '<###>' by '@' and '…' b a dot ---just to fight spam).

Each link below redirects to an image gallery. Each image has been obtained with data computed by the corresponding program.

Electron Density Toolkit. This suite consists of several small programs, which use wfn or wfx files as input, and which are capable of evaluating several scalar and vector fields, which are derivatives of the Electron Density [ED]. Examples of fields are: Electron Density, Localized Orbital Locator [LOL], Electron Localization Function [ELF], Gradient of ED, Hessian of ED, Shannon entropy density, Electron momentum density, Laplacian of the density.

The fields can be evaluated in 1D (dat files), 2D (tsv files) and 3D (cube files) grids. For the visualization, the program creates scripts that can be parsed to gnuplot (simple line plots --1D-- or heat maps --2D--), povray (molecules and critical points, see below), or the cube files can be used as input for molecular visualization programs such as VMD or ParaView.

The suite can also find critical points (within the context of Bader's Quantum Theory of Atoms in Molecules). In the current version, the suite can find Electron Density Critical points, Bond gradient paths of ED, and some of the critical points of LOL. We will eventually try to increase the critical point types.

An implementation of the Boundary Spectral Method for solving elastostatic equations of systems comprised by several spherical inclusions embedded in a spherical elastic medium.

Currently, we can study problems with both Dirichlet and Newmann boundary conditions, defined on spherical surfaces (the surfaces of the system's components).

Discrete Element Molecular Dynamics Simulator for Granular Materials in 2D. The program simulates granular materials in 2D (Hele-Shaw cells).

OWR (Open Wavefront Reconstructor) is a library written in C++ and aimed to facilitate future research in the field of wafefront reconstruction, as well as to provide a ready-to-go framework for being used in control systems.


The library contains the following capabilities:


  • A mock-up generator of various types of incident wavefronts.
  • Implementation of different wavefront reconstruction algorithms: Zernike polynomials and Half Circular Harmonics for circular domains, and Legendre polynomials for square domains.
  • Runtime selection of the linear algebra library to perform the algebraic computations.
  • Time profiling of the linear algebraic operations.
  • All software entities are fully decoupled, therefore OWR can be easily modified or extended.