Source: alamode
Section: scientific
Priority: extra
Maintainer: Synge Todo <wistaria@phys.s.u-tokyo.ac.jp>
Build-Depends: debhelper (>= 8.0.0), mpi-default-dev, liblapack-dev, libboost-all-dev, libfftw3-dev, libeigen3-dev, libsymspg-dev
Standards-Version: 3.9.3
Homepage: http://alamode.readthedocs.io/

Package: alamode
Architecture: any
Depends: ${shlibs:Depends}, ${misc:Depends} mpi-default-bin, python3-numpy, python3-matplotlib
Description: A program package for constructing interatomic force fields
 which explicitly consider lattice anharmonicity. In combination with a
 molecular dynamics simulator LAMMPS and an external first-principles
 package such as VASP and Quantum ESPRESSO, ALAMODE extracts
 harmonic/anharmonic force constants of solids and calculates phonon
 dispersion, phonon DOS, Gruneisen parameter, phonon-phonon scattering
 probability, lattice thermal-conductivity, anharmonic phonons at finite
 temperature, phonon free energy and so on.
