Source Codes
Bash Scrips
- rename.sh rename files, usage: rename.sh gif jpeg
- ubusy.sh unmount busy file system, usage: ubusy.sh /mnt/cdrom
- psmall.sh resize and change names
to images in a directory, usage: psmall.sh
~/myphoto
- sxw2txt.sh convert an OpenOffice
file to a text file, usage: sxw2txt.sh
mydoc.sxw
- make_short.sh convert a ps file to one with for pages per sheet (by L. Stella), usage:make_short.sh filename
- latex2png.sh convert a latex formula in a png image, usage:latex2png.sh 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
Tight-Binding
- 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
- makexyz.tgz Make xyz file from the abinit input file
- readband.py Read ABINIT eigenvalues file to plot band structure or to calculate DOS
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.
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