TREXIO v2.0 Release Notes

This is the official release 2.0 of the TREXIO library

Highlights

• Changes in the data structure of the ecp and basis groups. These modifications require to upgrade the major version of TREXIO to avoid backwards incompatible files.

Contributors

A total of 2 people contributed to this release.

• Anthony Scemama
• Evgeny Posenitskiy