Home
Events
Workshop-2023
Toruń workshop 2023
Workshop-2024
Products
Cloud Computing
Download XACS
Docs
XMVB
XEDA
MLatom
MLatom-CN
Cloud Computing
Contact
About
About XACS
XACS Team
Cloud Computing
MLatom 3.2.0 is released!
Published Time: 2024-03-20 21:29:09
This is a major release with many new features, usability and performance improvements, and bug fixes. In short, we:
implemented
energy-weighted training
of ANI machine learning potentials
implemented
diffusion Monte Carlo
made AIQM1 on the XACS cloud
much faster and more stable
made
frequency calculations more robust
improved
ORCA interface
implemented CCSD(T)*/CBS calculations for
charged and open-shell species
implemented
geometry optimization with constraints
.
You can check out
https://xacs.xmu.edu.cn/docs/mlatom/releases.html
for more information.