MRChemSoft/mrcpp

mrcpp v2

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ilfreddy commented

We need to consider a mrcpp v2 which will be able to deal with multicomponent orbitals.
Possible levels are:

  1. complex functions (explicit magnetic fields, time evolution)
  2. two-component relativistic orbitals (2C ZORA, X2C methods)
  3. four-component relativistic orbitals (Dirac equation)