message: Modify alpha/beta key names, relax constraints
  Response to review comments, make it more explicit these are
  coefficients for alpha/beta electrons, and relax the constraint
  that the alpha and beta coefficient matrix must be the same size.
diff: @@ -250,22 +250,21 @@ bool CjsonFormat::read(std::istream& file, Molecule& molecule)
  if (orbitals.is_object() && basis->isValid()) {
  basis->setElectronCount(orbitals["electronCount"]);
  json moCoefficients = orbitals["moCoefficients"];
  - json moCoefficientsA = orbitals["alpha"];
  - json moCoefficientsB = orbitals["beta"];
  + json moCoefficientsA = orbitals["alphaCoefficients"];
  + json moCoefficientsB = orbitals["betaCoefficients"];
  if (isNumericArray(moCoefficients)) {
  std::vector<double> coeffs;
  for (unsigned int i = 0; i < moCoefficients.size(); ++i)
  coeffs.push_back(static_cast<double>(moCoefficients[i]));
  basis->setMolecularOrbitals(coeffs);
  } else if (isNumericArray(moCoefficientsA) &&
  - isNumericArray(moCoefficientsB) &&
  - moCoefficientsA.size() == moCoefficientsB.size()) {
  + isNumericArray(moCoefficientsB)) {
  std::vector<double> coeffsA;
  - std::vector<double> coeffsB;
  - for (unsigned int i = 0; i < moCoefficientsA.size(); ++i) {
  + for (unsigned int i = 0; i < moCoefficientsA.size(); ++i)
  coeffsA.push_back(static_cast<double>(moCoefficientsA[i]));
  + std::vector<double> coeffsB;
  + for (unsigned int i = 0; i < moCoefficientsB.size(); ++i)
  coeffsB.push_back(static_cast<double>(moCoefficientsB[i]));
  - }
  basis->setMolecularOrbitals(coeffsA, BasisSet::Alpha);
  basis->setMolecularOrbitals(coeffsB, BasisSet::Beta);
  } else {
  @@ -410,8 +409,8 @@ bool CjsonFormat::write(std::ostream& file, const Molecule& molecule)
  for (int i = 0; i < moMatrix.rows(); ++i)
  moBeta.push_back(moMatrix(i, j));
  - root["orbitals"]["alpha"] = moCoefficients;
  - root["orbitals"]["beta"] = moCoefficients;
  + root["orbitals"]["alphaCoefficients"] = moCoefficients;
  + root["orbitals"]["betaCoefficients"] = moBeta;
  } else {
  root["orbitals"]["moCoefficients"] = moCoefficients;
  }
  