2.1 Windows Pre-built

If you only want to use some utilities of MOKIT (e.g. transfer MOs among various programs, generate input files of various programs), the most convenient way is probably to use the pre-built (or pre-compiled) Windows executables. Note that the version of pre-built Windows executables is usually older than that of Linux pre-built executables, so you are recommended to download the latter one.

Only 20+ out of all utilities in MOKIT are provided. These executables are compressed into .7z file and can be downloaded at Releases. Download, uncompress it, and set the environment variables, then these utilities can used in any directory.

If you are only interested in the usage of the utility frag_guess_wfn under Windows, please read here for a quick guide.

To set the environment variables, search 'environment' ("环境变量" in Chinese) in the Windows search bar, then press Enter and click Edit to edit the PATH variables. Create a new path and type the path of MOKIT binary directory. For example, on my computer the path is D:\360Downloads\mokit\bin.

Press the combination keys Win+R on the keyboard, type cmd to prompt CMD, and change into the directory where your .fch(k) file holds, simply run like