mbd_constants Module
Constants used throughout.
Variables
| Type | Visibility | Attributes | Name | Initial | |||
|---|---|---|---|---|---|---|---|
| real(kind=dp), | public, | parameter | :: | ang | = | 1.8897259886d0 |
Value of angstrom in atomic units |
| integer, | public, | parameter | :: | MBD_EXC_NEG_EIGVALS | = | 1 |
Negative eigenvalue exception |
| integer, | public, | parameter | :: | MBD_EXC_NEG_POL | = | 2 |
Negative polarizability exception |
| integer, | public, | parameter | :: | MBD_EXC_LINALG | = | 3 |
Exception in LAPACK or ScaLAPACK |
| integer, | public, | parameter | :: | MBD_EXC_UNIMPL | = | 4 |
Functionality is not implemented |
| integer, | public, | parameter | :: | MBD_EXC_DAMPING | = | 5 |
Damping-function exception |
| integer, | public, | parameter | :: | MBD_EXC_INPUT | = | 6 |
Invalid input |