Help regarding code modification

[Ayan Bhowmick]

I am currently modifying the source code of DIRAC 26.1 for development purposes and came across the following section in src/dirac/dirrdn.F

  139     CONTINUE
C&&& Activate the CAP calculation for the complex Fock space method
#ifdef MOD_CAP
             CAP  =  .TRUE.
#else
             CAP  =  .FALSE.
#endif
             GO TO 100

The comment suggests the existence of a Complex Absorbing Potential (CAP) implementation associated with a "complex Fock space method."

I would like to ask whether DIRAC contains (or previously contained) a CAP module for resonance-state calculations. If so, is there a development branch, unpublished module, or historical implementation in which MOD_CAP is active and functional?

Regards,

Ayan

[Miroslav Iliaš]

Dear  Ayan,

Around 2007 I tried to implement CAP from Y.Sajeev with FSCCSD, but it did not work properly. 

Please contact me in private to discuss the topic deeper.

Miro

  

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