in Chemistry/src/DataModel/Serialization/Broombridge/BroombridgeSerializer.cs [27:50]
public static IEnumerable<ElectronicStructureProblem> Deserialize(TextReader reader)
{
var data = Deserializers.DeserializeBroombridge(reader);
return data
.Raw
.ProblemDescriptions
.Select(
problem => new ElectronicStructureProblem
{
BasisSet = problem.BasisSet?.FromBroombridgeV0_1(),
CoulombRepulsion = problem.CoulombRepulsion.FromBroombridgeV0_1(),
Geometry = problem.Geometry?.FromBroombridgeV0_1(),
EnergyOffset = problem.EnergyOffset.FromBroombridgeV0_1(),
FciEnergy = problem.FciEnergy?.FromBroombridgeV0_1(),
InitialStates = problem.InitialStates?.FromBroombridgeV0_2(),
Metadata = problem.Metadata,
NElectrons = problem.NElectrons,
NOrbitals = problem.NOrbitals,
OrbitalIntegralHamiltonian = V0_2.ToOrbitalIntegralHamiltonian(problem),
ScfEnergy = problem.ScfEnergy?.FromBroombridgeV0_1(),
ScfEnergyOffset = problem.ScfEnergyOffset?.FromBroombridgeV0_1()
}
);
}