A set of utilities and library functions to facilitate writing of scientific codes -- with a particular focus on the analysis of atomistic simulations.
Compilation of the toolbox libraries and tools should not be too difficult. It requires that FFTW3 and LAPACK libraries are installed on the system, and a C++ compiler.
On a Ubuntu system the dependencies can be satisfied by installing
sudo apt-get install build-essential liblapack-dev libfftw3-devThen, compiling toolbox should be straightforward:
cd src
makeThe resulting executables will be generated in bin.
One can modify the default parameters for the compiler and library paths by creating a arch.xxx file in the main path, and specifying which architecture file to load by running
cd src
ARCH=xxx makee.g. if you want to build with regex support and have boost-regex installed, you can use
ARCH=boost make
This project is maintained by @ceriottm, who will reply to issues and pull requests opened on this repository as soon as possible. You can mention them directly if you did not receive an answer after a couple of days.