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Dalton

The Dalton code is a powerful tool for a wide range of molecular properties at different levels of theory. Any published work arising from use of one of the Dalton2016 programs must acknowledge that by a proper reference, https://www.daltonprogram.org/www/citation.html.

homepage: https://daltonprogram.org/

Available installations

Dalton version Supported CPU targets Supported GPU targets EESSI version Module
2026 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 Dalton/2026-foss-2025a-parallel