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.More Information
For more information visit the mctc-lib website.
Available Versions
These versions of mctc-lib are available on the BEAR systems (BlueBEAR and BEAR Cloud VMs). These will be retained in accordance with our Applications Support and Retention Policy.
| Version | BEAR Apps Version |
|---|---|
| 0.3.1-intel-compilers-2022.1.0 | 2022a |
| 0.3.1-GCC-12.3.0 | 2023a |
| 0.3.1-GCC-12.2.0 | 2022b |