Optimize molecular geometries easier with MLatom 3.4.0
MLatom 3.4.0 has been released on 29.03.2024.
This release is a major release with usability improvements:
- simpler input of xyz coordinates (and other data) directly in the input file.
- more informative output of geometry optimizations.
- interface to geomeTRIC package for geometry optimizations.
- and other improvements related to geometry optimizations.
Contributed to this release: Pavlo O. Dral, Yuxinxin Chen, Fuchun Ge, and Yi-Fan Hou.
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