Yuming Su

icon company AI4EC Lab, Tan Kah Kee Innovation Laboratory (IKKEM) icon location Xiamen, China icon location Ph.D. in Chemistry, 2024, College of Chemistry and Chemical Engineering, Xiamen University

Results 1 issues of Yuming Su

wanna get a function of optimization

1 comment

### Is your feature request related to a problem? Please describe. In API documentation, there is only single point calculation method. It is really helpful if the python_xtb could contain...

enhancement
xtb