This directory contains build settings for the LATTE library which is required to use the LATTE package and its fix latte command in a LAMMPS input script.

Information about the LATTE DFTB code can be found at: https://github.com/losalamos/LATTE

The LATTE development effort is led by Marc Cawkwell and Anders Niklasson at Los Alamos National Laboratory.

To download, build, and install LATTE as a library on your system, follow these steps:

• Download or clone the LATTE source code from: https://github.com/losalamos/LATTE.

• Modify the makefile.CHOICES according to your system architecture and compilers.

• Set the MAKELIB flag to ON in makefile.CHOICES and finally, build the code with the make command.

Note that if you unpack and build LATTE in this directory, if you download a new LAMMPS tarball, the files you have added here will be lost. So you likely want to build it somewhere else. The recommended place is the home directory.

To build LAMMPS with the LATTE library you should follow the following instructions:

• makefile.lammps.* to makefile.lammps in the /lammps/lib/latte directory.

• Change the path, flags and compilers on the makefile.lammps according to your compilers, architecture and the LATTE location.

• Finally, you should execute the following commands: $ cd lammps/src $ make yes-latte $ make g++ (or whatever target you wish)

Note that the Makefile.lammps file in this directory is required to allow the LAMMPS build to find the necessary LATTE files. You should not normally need to edit this file.