Modular package for atomistic simulations based on Python.
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Updated
Sep 21, 2017 - Fortran
Modular package for atomistic simulations based on Python.
Program to determine the minimal RMSD between two atomic configurations
Fully loaded atomistic modeling environment
Spring
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.
Nagoya Atomistic-simulation Package (NAP). Why don't you take a NAP? ;)
FLAME: a library for atomistic modeling environments
Cassandra is a Monte Carlo package to conduct atomistic simulations.
CREST - A program for the automated exploration of low-energy molecular chemical space.
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
DFTB+ general package for performing fast atomistic simulations
Semiempirical Extended Tight-Binding Program Package
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