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A Julian abstract interface for atomic structures.
Julia 99 22
JuliaMolSim "umbrella" package that re-exports multiple core ecosystem packages.
Julia
Density-functional toolkit
Julia 536 107
Molecular simulation in Julia
Julia 492 71
A Julian abstract interface for atomistic calculators.
Julia 17 2
The website of the JuliaMolSim organisation
JavaScript 6 5
Support for reading and using pseudopotentials in Julia
Geometry optimization for molecular simulation
Stability-focused LOBPCG eigensolver
Interface and Julia implementation of exchange-correlation functionals
Julia bindings to the libxc library for exchange-correlation functionals
Use standard solid-state pseudopotentials in Julia
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