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Pulsar-Psi4

The Psi4 supermodule for use with the Pulsar framework.

##Supported Methods At the moment the following methods from Psi4 work with Pulsar:

  • DF-SCF
  • DF-MP2
  • FNO-DF-CCSD
  • FNO-DF-CCSD(T)

##Compatibility Level All Psi4 modules interact with Pulsar very simply. Specifically they only work as EnergyMethods. This means attempting to change the keys, for say the Fock builder, will not lead to any difference. Furthermore, we cheat a bit on setting Psi4 options. Specifically, instead of using the basis set key to get the basis from Pulsar, we just push the basis key to Psi4. This means your key should be something like: "sto-3g","aug-cc-pVDZ", etc.

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The Psi4 supermodule for Pulsar

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