v2.0
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
andbasis
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