mbd_utils Module
Utility types, interfaces, and procedures.
Uses
-
- mbd_gradients
- mbd_constants
- mbd_mpi
Derived Types
type, public :: exception_t
Represents an exception.
type, public :: result_t
Stores results from an MBD calculation
type, public :: atom_index_t
Maps from atom indexes to positions in matrices.
type, public :: clock_t
Used for measuring performance.
type, public :: quad_pt_t
Represents a 1D quadrature point