This is the current development version of a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2DIR, 2DES, 2DSFG, and F-2DES).
2DIR was made MPI parallel
Linear dichroism was added
Implemented true two-state behaviour for the *UVvis techniques
Changed timing information for two-dimensional calculations to percentage of full calculation based
Important change in naming of 2DIR sub techniques to contain IR at the end (GBIR, SEIR, EAIR, etc.).
The manual was updated
2DIR was made MPI parallel Linear dichroism was added Implemented true two-state behaviour for the *UVvis techniques Changed timing information for two-dimensional calculations to percentage of full calculation based Important change in naming of 2DIR sub techniques to contain IR at the end (GBIR, SEIR, EAIR, etc.). The manual was updated