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A Julian abstract interface for atomic structures.
Julia 94 22
JuliaMolSim "umbrella" package that re-exports multiple core ecosystem packages.
Julia
Density-functional toolkit
Julia 522 108
Molecular simulation in Julia
Julia 479 68
A Julian abstract interface for atomistic calculators.
Julia 17 2
The website of the JuliaMolSim organisation
JavaScript 6 5
Convenient building of atomic structures
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neighbour list for particle simulations based on matscipy
Geometry optimization for molecular simulation
Support for reading and using pseudopotentials in Julia
Use standard solid-state pseudopotentials in Julia
Repository to host tarballs of standard pseudopotential libraries
Implementation of generic AtomsBase structures
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