This is currently not instantaneous because all CI integrals are recalculated, even though they aren't used (this is done before CalculateEnergies). So somehow we need AMBiT to know that it doesn't need them. Perhaps they can just be calculated when needed (in CalculateEnergies) and a flag set to say they've been calculated.
Related: Reading and Writing is rather coarse-grained right now (essentially -c or -d only). This can be expanded but somehow kept simple.
This is currently not instantaneous because all CI integrals are recalculated, even though they aren't used (this is done before CalculateEnergies). So somehow we need AMBiT to know that it doesn't need them. Perhaps they can just be calculated when needed (in CalculateEnergies) and a flag set to say they've been calculated.
Related: Reading and Writing is rather coarse-grained right now (essentially -c or -d only). This can be expanded but somehow kept simple.