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Dice

Dice contains code for performing SHCI, VMC, GFMC, DMC, FCIQMC, stochastic MRCI and SC-NEVPT2, and AFQMC calculations with a focus on ab initio systems.

homepage: https://github.com/sanshar/Dice

Available installations

Dice version Supported CPU targets Supported GPU targets EESSI version Module
20250615 generic: aarch64, x86_64
Arm: a64fx, neoverse_n1, neoverse_v1, nvidia/grace
AMD: zen2, zen3, zen4, zen5
Intel: haswell, skylake_avx512, sapphirerapids, icelake, cascadelake
(none) 2025.06 Dice/20250615-foss-2025a