juliamolsim Goto Github PK
Name: Molecular Simulation in Julia
Type: Organization
Name: Molecular Simulation in Julia
Type: Organization
Julia Bindings for Atomic Simulation Environment
A Julian abstract interface for atomic structures.
Convenient building of atomic structures
A Julian abstract interface for atomistic calculators.
Utilities for implementing AtomsCalculators
Interface and Julia implementation of exchange-correlation functionals
Density-functional toolkit
Trial setup for electronic structure
Empirical interatomic potentials with Julia, AtomsBase and AtomsCalculators
Geometry optimization for molecular simulation
Birds of Feather discussion at the Juliacon2021
The website of the JuliaMolSim organisation
playing around with a logo for the org!
Julia Library for Interatomic Potentials
Julia bindings to the libxc library for exchange-correlation functionals
Molecular simulation in Julia
Registry for Molecular Simulation Packages
Python bindings for molecular simulations
Management of LibAtoms Julia registry
Content for intro to Julia lesson at MolSSI workshop on Julia for computational materials and molecular science!
neighbour list for particle simulations based on matscipy
Repository to host tarballs of standard pseudopotential libraries
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