Outline of this blog: Ground state optimization (to get ideal geometry of the molecule) build the molecules (input) geometry optimization of the molecule (output) Ground state single point calculation (to get the HOMO and LUMO orbital) based on the geometry…
How to push your work via git: Identification Preparation(Sec 1)
This is a bug I encountered today after I have created the local and github repository, saying $ git push origin main > Warning: Permanently added the RSA host key for IP address ‘140.82.112.3’ to the list of known hosts.…