type, public :: damping_t
Represents a damping function.
Components
| Type | Visibility |
Attributes | | Name | | Initial | |
|---|
| character(len=20), |
public |
| :: |
version | | | |
| real(kind=dp), |
public |
| :: |
beta | = | 0d0 | |
| real(kind=dp), |
public |
| :: |
a | = | MBD_DAMPING_A | |
| real(kind=dp), |
public |
| :: |
ts_d | = | TS_DAMPING_D | |
| real(kind=dp), |
public |
| :: |
ts_sr | = | 0d0 | |
| real(kind=dp), |
public |
| :: |
mayer_scaling | = | 1d0 | |
| real(kind=dp), |
public, |
allocatable | :: |
r_vdw(:) | | | |
| real(kind=dp), |
public, |
allocatable | :: |
sigma(:) | | | |
| real(kind=dp), |
public, |
allocatable | :: |
damping_custom(:,:) | | | |
| real(kind=dp), |
public, |
allocatable | :: |
potential_custom(:,:,:,:) | | | |
Type-Bound Procedures
procedure, public :: set_params_from_xc => damping_set_params_from_xc
-
private function damping_set_params_from_xc(this, xc, variant) result(exc)
Arguments
| Type |
Intent | Optional |
Attributes | | Name | |
|---|
| class(damping_t), |
intent(inout) |
|
| :: |
this | |
| character(len=*), |
intent(in) |
|
| :: |
xc | |
| character(len=*), |
intent(in) |
|
| :: |
variant | |