multicharge

Electronegativity equilibration model for atomic partial charges.

https://github.com/grimme-lab/multicharge

Available modules

The overview below shows which multicharge installations are available per target architecture in the HPCC module system, ordered based on software version (new to old).

To start using multicharge, load one of these modules using a module load command like:

module load multicharge/0.3.1-gfbf-2024a

(This data was automatically generated on Thu, 22 Jan 2026 at 12:03:27 EST)

	gateway	generic	zen2	zen3	zen4	skylake_avx512
	Gateway nodes	everywhere (except Grace nodes)	amd20	amd22	amd24	intel18,amd20-v100,amd21,intel21
multicharge/0.3.1-gfbf-2024a	-	x	-	-	-	-