retinavr

How to use openbabel as c++ library on windows with visual studio 2019

2

Dear everyone I apologize if this already has been answered, but i really feel like there is missing a very important documentation on using openbabel 3-1-1 to develop software on...

Geometry optimization with C API

4

**Is your feature request related to a problem? Please describe.** I am looking into implementing xTB for a VR platform I am developing. So far I have been using the...

Request: Optimization in xtb-python

2

Hello I would like to request an optimization scheme in the python module like the xTB program itself. I know this is possible with ASE, but ASE tends to slow...