| Module | Source File | Description |
|---|---|---|
| mbd | mbd.F90 | High-level Fortran API. |
| mbd_constants | mbd_constants.f90 | Constants used throughout. |
| mbd_damping | mbd_damping.F90 | Damping functions. |
| mbd_defaults | mbd_defaults.f90 | Defaults used at multiple places. |
| mbd_dipole | mbd_dipole.F90 | Construction of dipole tensors and dipole matrices. |
| mbd_elsi | mbd_elsi.F90 | |
| mbd_formulas | mbd_formulas.f90 | Common formulas used at multiple places. |
| mbd_geom | mbd_geom.F90 | Representing a molecule or a crystal unit cell. |
| mbd_gradients | mbd_gradients.f90 | Derivatives. |
| mbd_hamiltonian | mbd_hamiltonian.F90 | Forming and solving MBD Hamiltonian. |
| mbd_methods | mbd_methods.F90 | Obtaining MBD energies. |
| mbd_scs | mbd_scs.f90 | Performing self-consistent screening. |
| mbd_ts | mbd_ts.F90 | Obtaining TS energies. |
| mbd_utils | mbd_utils.F90 | Utility types, interfaces, and procedures. |