Code

NaI analytic potential for FSSH#178

Code

Merged

danielhollas merged 7 commits intomasterPHOTOX/ABIN:masterfrom nai_potentialPHOTOX/ABIN:nai_potentialCopy head branch name to clipboardJul 3, 2024

+1,574-6

Commits

Commits on May 3, 2024

• First version of NaI analytic potential for SH

  Show description for d12759f
  JanosJiri

  committed
  d12759f

Commits on May 7, 2024

• Implemenging NaI SH potentail for the true NaI molecule, not 1D system.

  Show description for 0a32cbe
  JanosJiri

  committed
  0a32cbe

Commits on May 8, 2024

• Correcting units conversion for nonadiabatic couplings.

  JanosJiri

  committed
  141f613

• Final polishing before pull request

  JanosJiri

  committed
  72982fa

Commits on Jun 5, 2024

• Code prettified and test added

  Show description for 0653cd4
  JanosJiri

  committed
  0653cd4

• Finishing requests for merging

  JanosJiri

  committed
  d7af6ce

Commits on Jul 2, 2024

• Simplifying NaI test to only 5 steps to make it faster

  JanosJiri

  committed
  739f22a