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A Julian abstract interface for atomic structures.
Julia 96 22
JuliaMolSim "umbrella" package that re-exports multiple core ecosystem packages.
Julia
Density-functional toolkit
Julia 526 108
Molecular simulation in Julia
Julia 480 70
A Julian abstract interface for atomistic calculators.
Julia 17 2
The website of the JuliaMolSim organisation
JavaScript 6 5
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neighbour list for particle simulations based on matscipy
Use standard solid-state pseudopotentials in Julia
Julia bindings to the libxc library for exchange-correlation functionals
Interface and Julia implementation of exchange-correlation functionals
Implementation of generic AtomsBase structures
Geometry optimization for molecular simulation
Convenient building of atomic structures
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