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lacourjansenlab / NISE_2017

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).
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The Analyse technique cannot use the Hamiltonian type Coupling #4

Closed GHlacour closed 1 year ago

GHlacour commented 1 year ago

Describe the bug The Analyse technique cannot use the Hamiltonian type Coupling

To Reproduce

  1. Run the code with HamiltonianType Coupling and Technique Analyse2.
  2. Verify that the couplings will be all zero instead of the values given in the Coupling.bin file.

Expected behavior The couplings should be given by the values in the Coupling.bin file, not all zero.

GHlacour commented 1 year ago

Issue #4 solved with addition of reading Coupling Hamiltonian Type in Analysis technique.