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The kernel of the Dalton2011 suite are two powerful molecular electronic structure programs, DALTON and LSDALTON. Together, the two programs provide an extensive functionality for the calculations of molecular properties at the HF, DFT, MCSCF, and CC levels of theory.

Required Modules


  • python/2.7.3.shared
  • boost/1.49.0
  • intel
  • dalton

Parallel (MPI)

  • python/2.7.3.shared
  • boost/1.49.0
  • intel
  • openmpi
  • dalton

System Variables

  • HPC_{{#uppercase:dalton}}_DIR
  • HPC_{{#uppercase:dalton}}_BIN
  • HPC_{{#uppercase:dalton}}_LIB
  • HPC_{{#uppercase:dalton}}_INC

PBS Script Examples

See the Dalton_PBS page for dalton PBS script examples.