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Search results for fortran atomistic simulations
atomistic-simulations
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fortran
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6 search results found
Xtb
⭐
501
Semiempirical Extended Tight-Binding Program Package
Dftbplus
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294
DFTB+ general package for performing fast atomistic simulations
Atomsk
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165
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
Cassandra
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32
Cassandra is a Monte Carlo package to conduct atomistic simulations.
Nap
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20
Nagoya Atomistic-simulation Package (NAP). Why don't you take a NAP? ;)
Flame
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18
FLAME: a library for atomistic modeling environments
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1-6 of 6 search results
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