abbreviations.json

{
  "tags": {
    "AE": "All Electron",
    "ASW": "Augmented spherical wave",
    "GTO": "Gaussian-type orbitals",
    "LAO": "London atomic orbitals",
    "LAPW": "Linearized augmented plane waves",
    "(L)MTO": "(Linear) muffin-tin orbitals",
    "NAO": "Numeric atom-centered orbitals",
    "PAW": "Projector-augmented wave",
    "PBC": "Periodic boundary conditions supported",
    "PP": "Pseudopotentials",
    "PW": "Plane-wave basis",
    "RS": "Real-space basis",
    "STO": "Slater-type orbitals",
    "WLT": "Wavelet basis"
  },
  "cost": {
    "free": "Free, may require registration",
    "free (academia)": "Free for academic use",
    "commercial": "Payment required"
  },
  "source": {
    "copyleft": "Copyleft open-source license",
    "permissive": "Permissive open-source license",
    "available": "Source available for free or against payment",
    "closed": "Closed source"
  },
  "acceleration": {
    "MPI": "Distributed memory parallelization on CPUs",
    "Global Arrays": "Shared-memory programming on distributed-memory computers for multidimensional arrays",
    "OpenMP": "Shared memory parallelization on CPUs",
    "Threads": "Custom shared memory parallelization on CPUs",
    "HIP": "Supports AMD and NVidia GPUs",
    "Cuda": "Supports Nvidia GPUs",
    "OpenACC": "Standard by Cray, CAPS, Nvidia and PGI",
    "OpenCL": "Open Computing Language, supporting GPUs, DSPs, FPGAs, ..."
  },
  "methods": {
    "DFT": "Density-functional theory",
    "FF": "Force field and semi-empirical methods, e.g. PM6, AM1, MNDO, ...",
    "QMC": "Quantum Monte Carlo",
    "TB": "Tight binding and DFTB",
    "WFM": "Wave-function methods (post Hartree-Fock)",
    "S": "Spectroscopy (e.g. many-body perturbation theory)"
  },
  "apis": {
    "QCSchema": "API and schema for Quantum Chemistry calculations"
  },
  "distribution_channels": {
    "Source": "Download source code and compile it yourself",
    "Binary": "Download pre-compiled executables",
    "AUR": "Arch User Repository (Arch Linux)",
    "APT": "Official package manager of Ubuntu Linux, Debian Linux",
    "DNF": "Official package manager of Fedora Linux",
    "Homebrew": "Unofficial package manager for MacOS",
    "DockerHub": "Pull docker image from DockerHub (Linux, MacOS, Windows)",
    "EasyBuild": "Build framework for high-performance computing (Linux)",
    "Spack": "Build framework for high-performance computing (Linux, MacOS)",
    "Nix": "Cross-platform package manager (Linux, MacOS)",
    "Guix": "Official package manager of GNU Guix system (Linux)",
    "PyPI": "Install from Python Package Index (Linux, MacOS, Windows)",
    "conda": "Cross-platform package manager (Linux, MacOS, Windows)",
    "NGC": "Pull image from Nvidia GPU Cloud (Linux)",
    "SingularityHub": "Pull singularity image from SingularityHub (Linux)",
    "Portage": "Official package manager of Gentoo Linux",
    "ZYpp": "Official package manager of SUSE Linux",
    "Yum": "Official package manager of CentOS Linux",
    "Macports": "Unofficial package manager for MacOS"
  }
}