Software and Scripts

Bash Scrips

  • rename files, usage: gif jpeg
  • unmount busy file system, usage: /mnt/cdrom
  • resize and change names
    to images in a directory, usage:
  • convert an OpenOffice
    file to a text file, usage:
  • convert a ps file to one with for pages per sheet (by L. Stella), filename
  • convert a latex formula in a png image, formula_filename resolution

Molecular Dynamics Utilities

  • autocorr.f90 evaluate autocorrelation function with error
  • makefcc.f90 generate a fcc lattice for a squared simulation box
  • makebcc.f90 generate a bcc lattice for a squared simulation box
  • pot_ewald.tgz C++ class for simple Ewald sums


  • spnnsi.f90 A simple sp3 nearest neighbors tight-binding code for Silicon
  • sp3d5s.tgz A sp3d5s* tight-binding code for Silicon that use the parameters of Phys. Rev. B 69 115201
  • sp3_3nn.tgz A sp3 third nearest neighbors tight-binding code for Silicon (Phys. Rev. B 62 5109). This package includes the files to calculate the density of states and the dielectric constant of Silicon.

Scripts for Abinit

Quantum Monte Carlo

  • Qumax a Quantum Monte Carlo Software for molecular systems

2D Electron Gas

  • LSD2D.f90 Correlation Energy and Spin Polarization in the 2D Electron Gas Int. J. Quantum Chem. 91, 126 (2003) and Phys. Rev. Lett. 88, 256601 (2002)

C and C++ codes

  • MyLapack A very simple interface for BLAS and LAPACK. Vectors and matrices are objects with the possibility of bonding check. Compatible with ATLAS ,ACML and MKL.
  • debug.h A simple function to perform tracing and debugging of C and C++ programs in a elegant way.


Fortran and Fortran 90 codes

  • mathvec.tgz A very simple interface for ACML Fast Vector Math and MKL Vector Mathematical Functions.

    Python scripts

  • Ordinary differential equations integrators (Euler, 2nd and 4th order Runge-Kutta):