For 64-bit Windows and macOS users the pre-compiled mex files highsmex.mexw64 and highsmex.mexmaca64 are provided so you do not have to install HiGHS on your system or, compile the mex file. Thanks to ...
This repository contains a workflow that facilitates excited-state calculations using Gaussian, extracts dipole moment information using Multiwfn, and processes the extracted data with MATLAB to ...
Some results have been hidden because they may be inaccessible to you
Show inaccessible results