Molecular Simulation in Julia

Results 6 repositories owned by Molecular Simulation in Julia

Molly.jl

368
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Molecular simulation in Julia

verified publisher icon JuliaMolSim

DFTK.jl

403
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83
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Density-functional toolkit

verified publisher icon JuliaMolSim

JuLIP.jl

78
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Julia Library for Interatomic Potentials

verified publisher icon JuliaMolSim

ASE.jl

34
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12
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Julia Bindings for Atomic Simulation Environment

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AtomsBase.jl

80
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A Julian abstract interface for atomic structures.

verified publisher icon JuliaMolSim

Libxc.jl

22
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5
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Julia bindings to the libxc library for exchange-correlation functionals

verified publisher icon JuliaMolSim