XACS

Xiamen Atomistic Computing Suite

XMVB

XMVB

A Valence Bond Theory Based Quantum Chemistry Program

XMVB

XEDA

XEDA

A General and Multipurpose Energy Decomposition Analysis Program

XEDA

Utils

MLatom

A Package for Atomistic Simulations with Machine Learning

MLatom

PreCal

XSCF

An Electronic Structure Calculation Program

XSCF

XGUI

XGUI

A Graphic Interface for XMVB Calculation and Orbital Visualization

XGUI

AFCG

AFCG

Automatic Generator of Formula and Code Based on Nonorthogonal Orbitals

AFCG
News
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16
October
2023

The Influence of Hydrogen Bonds on the Roaming Reaction

The Influence of Hydrogen Bonds on the Roaming Reaction

12
October
2023

Documentation for MLatom Python API is out!

Documentation for MLatom Python API is out!

22
September
2023

MLatom 3: 10-year anniversary edition is released!

MLatom 3: 10-year anniversary edition is released!

21
September
2023

The new XACS cloud computing with Linux terminal, file manager, and more is now available!

The new XACS cloud computing with Linux terminal, file manager, and more is now available!