You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Need to define request (e.g. VibrationalEnergyRequest) and response (e.g. VibrationalEnergyResponse) structures that allow users to calculate vibrational frequencies and eigenvectors/modes. Request packet needs to contain enough information to run a vibrational calculation for a given molecule. The response packet needs to contain, at minimum, the vibrational energies and mode vectors.
The text was updated successfully, but these errors were encountered:
Need to define request (e.g.
VibrationalEnergyRequest
) and response (e.g.VibrationalEnergyResponse
) structures that allow users to calculate vibrational frequencies and eigenvectors/modes. Request packet needs to contain enough information to run a vibrational calculation for a given molecule. The response packet needs to contain, at minimum, the vibrational energies and mode vectors.The text was updated successfully, but these errors were encountered: