This repository contains several basic codes used in the reactive scattering community. However, these codes may also find their use elsewhere.
Each code is kept inside a folder arranged in numeric order.
Check documentation.pdf for detail description of codes.
The following codes are available in the database.
Contain code to calculate total reaction probability for atom + diatom collisions for the diatomic rovibrational state of j=0/1.
- Code: ics-jneq.f90 This calculates the ICS for (v, j ≠ 0) diatomic state in a atom-diatom reaction.
- code: version-02/stsics.f90 This calculates the ICS for (v, j = 0) diatomic state in a atom-diatom reaction. Rotational and vibration level resolved ICSs can be calculated from the code.