Quantum Materials Dynamics Group
Lunghi group's software development page
School of Physics, Trinity College Dublin
Pinned Repositories
equivariant_model
fitsnap
FORTRAN software to train SNAP by Ridge regression and active learning. The code calls lammps as external library to build the bispectrum components and a bash script to run DFT on-the-fly during active learning.
MolForge
A multipurpose Fortran2003+MPI suite of codes for the simulation of spin dynamics at the atomistic level. The code is developed to readily interface with first-principles codes.
Quantum Materials Dynamics Group's Repositories
LunghiGroup/MolForge
A multipurpose Fortran2003+MPI suite of codes for the simulation of spin dynamics at the atomistic level. The code is developed to readily interface with first-principles codes.
LunghiGroup/equivariant_model
LunghiGroup/fitsnap
FORTRAN software to train SNAP by Ridge regression and active learning. The code calls lammps as external library to build the bispectrum components and a bash script to run DFT on-the-fly during active learning.