Semiempirical Extended Tight-Binding Program Package
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Updated
Sep 19, 2024 - Fortran
Semiempirical Extended Tight-Binding Program Package
DFTB+ general package for performing fast atomistic simulations
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
CREST - A program for the automated exploration of low-energy molecular chemical space.
Cassandra is a Monte Carlo package to conduct atomistic simulations.
FLAME: a library for atomistic modeling environments
Nagoya Atomistic-simulation Package (NAP). Why don't you take a NAP? ;)
A Kinetic Monte Carlo super-Lattice code designed to simulate with atomic resolution the kinetics of processes (e.g., PVD, CVD, laser annealing) involving elements, alloys and compounds characterized by the sp3 bond symmetry.
Spring
Fully loaded atomistic modeling environment
Modular package for atomistic simulations based on Python.
Program to determine the minimal RMSD between two atomic configurations
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