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singularitti/README.md

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  1. MineralsCloud/qha MineralsCloud/qha Public

    A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations

    Python 31 14

  2. vscode-julia-formatter vscode-julia-formatter Public archive

    [DEPRECATED] A formatter for the Julia language powered by JuliaFormatter.jl

    TypeScript 39 7

  3. MineralsCloud/Express.jl MineralsCloud/Express.jl Public

    Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community

    Julia 29 1

  4. MineralsCloud/QuantumESPRESSOBase.jl MineralsCloud/QuantumESPRESSOBase.jl Public

    Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.

    Julia 14

  5. MaterialsRealm/vasp-workflows MaterialsRealm/vasp-workflows Public

    VASP workflows during research

    Python 2

  6. ComposableCommands.jl ComposableCommands.jl Public

    A Julia package enabling straightforward composition and interpretation of command-line instructions for improved process management

    Julia 1