• Solvent effects
  • Orbitals rotating in CASSCF
  • diffused basis or Rydberg …
  • XMS-CASPT2 in OpenMolcas
  • the problem about putting …
  • QCMaquis standalone keywo …
  • Molcas 8.4 beta and MKL i …
  • How to analyze and visual …
  • CASPT2 with GASSCF orbitals
  • relax geometry of S1 state
  • Use Atomic orbitals as in …
  • Help needed regarding Ope …
  • Problem in QM/MM optimization
  • Optimization improvements
  • MOLCAS 8.0 getpatch