mctc-lib

Common tool chain for working with molecular structure data in various applications. This library provides a unified way to perform operations on molecular structure data, like reading and writing to common geometry file formats.

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

version	toolchain
0.3.1	GCC/11.3.0
0.3.1	GCC/12.2.0
0.3.1	GCC/12.3.0
0.3.1	intel-compilers/2022.1.0
0.3.1	intel-compilers/2022.2.1

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