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We present NECI, a state-of-the-art implementation of the Full ConfigurationInteraction Quantum Monte Carlo algorithm, a method based on a stochasticapplication of the Hamiltonian matrix on a sparse sampling of the wavefunction. The program utilizes a very powerful parallelization and scalesefficiently to more than 24000 CPU cores. In this paper, we describe the corefunctionalities of NECI and recent developments. This includes the capabilitiesto calculate ground and excited state energies, properties via the one- andtwo-body reduced density matrices, as well as spectral and Green's functionsfor ab initio and model systems. A number of enhancements of the bare FCIQMCalgorithm are available within NECI, allowing to use a partially deterministicformulation of the algorithm, working in a spin-adapted basis or supportingtranscorrelated Hamiltonians. NECI supports the FCIDUMP file format forintegrals, supplying a convenient interface to numerous quantum chemistryprograms and it is licensed under GPL-3.0.

NECI: N-Electron Configuration Interaction with emphasis on state-of-the-art stochastic methods