Meamzilla

Molecular dynamics potential fitting code. Fits a classical potential to a configuration database of ab-initio forces, energies, and stresses.

Requirements

1. gcc 4.7.2+ (due to C++11 in the code)
2. MPI
3. MKL / ACML / LibSci

Installation

Edit the Makefile with proper C++ compiler and libraries. There are a few example Makefile's provided for a variety of supercomputers. Then type:

make

or for a multicore machine...

make -j [jobs]