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  • Hans Jørgen Aagaard Jensen's avatar
    hjaaj. Restored singlet totally symmetric excitation energies in **RESPONS for .SUPSYM · 13154f00
    Hans Jørgen Aagaard Jensen authored
    - has not been working since Dec 2014 where I implemented that SETSIR is always called
      for **RESPONS, also if SIRIUS has been run. (git hash 270f7c0b)
    - SETSIR is called by both ABACUS and RESPONS, to set SIRIUS (i.e. MCSCF wave function) variables.
      SUPSYM is not implemented in ABACUS, therefore SETSIR aborted if SUPSYM because SETSIR was
      originally written for ABACUS. Now SETSIR checks if it is called from the ABACUS driver
      before aborting if SUPSYM.
    13154f00
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