mctc-lib

Common tool chain for working with molecular structure data in variousapplications. This library provides a unified way to perform operations onmolecular structure data, like reading and writing to common geometry fileformats.

https://grimme-lab.github.io/mctc-lib

Available modules

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

To start using mctc-lib, load one of these modules using a module load command like:

module load mctc-lib/0.3.1-GCC-13.3.0

(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
mctc-lib/0.3.1-GCC-13.3.0	-	x	-	-	-	-
mctc-lib/0.3.1-GCC-12.3.0	-	x	-	-	-	-