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A Julian abstract interface for atomic structures.
Julia 84 18
A Julian abstract interface for atomistic calculators.
Julia 14 2
Density-functional toolkit
Julia 445 89
Molecular simulation in Julia
Julia 406 54
The website of the JuliaMolSim organisation
JavaScript 5 4
Access standard solid-state pseudopotentials from Julia
Convenient building of atomic structures
Utilities for implementing AtomsCalculators
Julia bindings to the libxc library for exchange-correlation functionals
Interface and Julia implementation of exchange-correlation functionals
Geometry optimization for molecular simulation
