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Main Program Usage / Full CI
« on: May 28, 2014, 12:27:15 PM »
Hello developers,
Should the FCI option work? I don't see any related printout when I set it.
Do I understand correctly that it should take the initial orbitals and just solve for the CI and give me the CI vector and energy of the given orbital set?
Thanks in advance.
best,
Shachar
Should the FCI option work? I don't see any related printout when I set it.
Do I understand correctly that it should take the initial orbitals and just solve for the CI and give me the CI vector and energy of the given orbital set?
Thanks in advance.
best,
Shachar
