Hope everyone are fine
Am chemical Engineer and I don’t have any Idea about programming or programmer’s languages, So my I ask what is the difference between python, C++ , Cmake and etc. Which one is better to use for input script or if I use notepad ++ for input script then does i need also python or cmake or other languages
This is a broad question that has been better answered elsewhere online, but a key difference between Python and C++ is that Python is an interpreted language and C++ is a compiled language. For chemistry-specific applications, however, this recent blog post might be of interest:
For the Materials Project specifically, we tend to use Python for its ease of use, as well as convenient access to the large number of available open-source data science & machine learning packages written in Python.
Also – sorry if I misinterpreted, is this question specifically about LAMMPS?
by the way your previous answer was helpful many thanks
For python, you can use ASE package.