Real-Time Electronic Structure Package for PySCF

Currently includes:

1. Real-time propagation of molecular orbital (MO) coefficient matrix
2. Supports restricted, unrestricted, and generalized hf/dft methods.
3. Observables:
   • MO occupations
   • Charge
   • Energy
   • Dipole
   • Magnetization
4. Propagators:
   • 2nd Order Magnus Step (MMUT)
   • 2nd Order Interpolated Magnus
   • Runge-Kutta 4
5. Functionality:
   • Localized "noscf" basis
   • Static bfield
   • Excitation
   • Complex Absorbing Potential (CAP)

How to use:

1. Initialize system using hf/dft method of choice in pyscf.
2. Create rt_scf class from the static scf object, enter propagation parameters. - rt_scf class must be given the following (mf, timestep, frequency, total_steps, filename)
3. Call the kernel() function to start propagation.