Quang Nguyen

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MISCELLANEOUS

Install LAMMPS on OS X Mavericks

LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is a molecular dynamics program from Sandia National Laboratories. Below you can find the step-by-step instructions on how to install LAMMPS on OS X Mavericks.

- System Version: OS X 10.9.3
- LAMMPS Version: 1-Feb-2014
- FORTRAN Compiler: Intel FORTRAN Composer XE (version 14.0.2)
- C++ Compiler: Intel C++ Composer XE (version 14.0.2)
- BLAS, LAPACK, FFTW: Intel MKL (version 11.1)
- MPI Library: OpenMPI (version 1.8.1) Read More...

DOSCAR Utility: Update 4

This program is for splitting DOSCAR file created by VASP and/or sum up the atomic projected DOS (pro-DOS) over some groups of atoms

WHAT’S NEW
- Fixed a bug for Linux binary (stars in output)
- Improved error notifications Read More...

CHGCAR Utility: Update 1

This program is for manipulating CHGCAR file(s) created by VASP calculation(s)

WHAT’S NEW
- Support non-collinear calculation
- Support non-spin polarized calculation
- Get spin density difference
- Split charge density into up and down
- Print out volume, species information
- Fix unit of XSF file (e/Angstrom^3 -> e/Bohr^3)
- Set output files for VASPVIEW Read More...