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.
Spring
Fully loaded atomistic modeling environment
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.
Program to determine the minimal RMSD between two atomic configurations
FLAME: a library for atomistic modeling environments
Cassandra is a Monte Carlo package to conduct 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.
DFTB+ general package for performing fast atomistic simulations
Nagoya Atomistic-simulation Package (NAP). Why don't you take a NAP? ;)
Semiempirical Extended Tight-Binding Program Package
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