computational-physics topic

A PyMOL plugin for visualizing vibrations in molecules and solids

smutao

A C++ library to implement the "virtual-move" Monte Carlo algorithm for approximating the dynamical evolution of systems of strongly interacting overdamped particles.

lohedges

ArtraCFD: A Computational Fluid Dynamics Solver

mohuangrui

Density Functional Theory in real space, for atoms, LDA and LSDA

aromanro

Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK

aromanro

A program implementing event driven molecular dynamics for hard smooth spheres, using OpenGL for displaying

aromanro

A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals

aromanro

A program implementing Metropolis Monte Carlo for the 2D square-lattice Ising model and the spin block renormalization

aromanro

A 2D Lattice Boltzmann program

aromanro

A simple program implementing the numerical renormalization group

aromanro