spectroscope

spectroscope is a molecule and vibrational frequency viewer designed for use with the SPECTRO program.

Installation

Installation assumes that you have Racket installed with the raco tool. First clone this repository:

$ git clone https://github.com/ntBre/spectroscope.git

If you have make installed, you can go into the spectroscope directory and run

$ make

to build the executable.

The makefile is currently very minimal, so you can also just run

$ raco exe -o scope main.rkt

to have the same effect without the make dependency.

Usage

The only use currently is to run

$ scope [spectro output file]

If no name is supplied for the output file, the name "spectro.out" is assumed.

Once the program opens, you can select a frequency with the mouse or with j and k to display its motion. The magnitude of the motion can be adjusted with the slider or the h and l keys. You can display the reference geometry without any displacements by pressing Escape. Exit with q.