Define tyoe analytic interactions (Debye-Huckel/crowders)
More...
|
|
real(kind=8), dimension(:,:), pointer | parray_nrj |
| define the arrays to store energy of interaction and force Could use 2 dimension array, to store for different types / stoke_radius More...
|
|
real(kind=8), dimension(:,:), pointer | parray_force |
|
real(kind=8), dimension(:,:), pointer | parray_nrj_hom_charged_surf |
|
real(kind=8), dimension(:,:), pointer | parray_force_hom_charged_surf |
|
integer | type |
| type of the array More...
|
|
integer | nbbin |
| Array properties, nbbin. More...
|
|
real(kind=8) | max_size |
|
real(kind=8) | h |
|
real(kind=8) | dh_radius |
| 1 solute representation, already in protein a bit useless becasue need the sum of the radius More...
|
|
real(kind=8) | vol_radius |
|
real(kind=8) | rep_radius |
|
real(kind=8) | epfct |
| NJB: add scaling factor like grid-based electrostatic routines. More...
|
|
real(kind=8) | surface_charge_dens |
| in case of a homogeneously charged surface More...
|
|
real(kind=8) | surface_prefct |
|
real(kind=8) | ki |
| Store ki, bjerrum usefull quantity independent of stoke radius. More...
|
|
real(kind=8) | bjerrum |
|
real(kind=8) | ionic |
|
integer | nbtypes |
| Number of different types of solutes. More...
|
|
logical | gouy_chapman |
|
Define tyoe analytic interactions (Debye-Huckel/crowders)
◆ bjerrum
real ( kind=8 ) mod_analytic::analytic::bjerrum |
◆ dh_radius
real(kind=8) mod_analytic::analytic::dh_radius |
1 solute representation, already in protein a bit useless becasue need the sum of the radius
◆ epfct
real(kind=8) mod_analytic::analytic::epfct |
NJB: add scaling factor like grid-based electrostatic routines.
◆ gouy_chapman
logical mod_analytic::analytic::gouy_chapman |
real(kind=8) mod_analytic::analytic::h |
◆ ionic
real ( kind=8 ) mod_analytic::analytic::ionic |
◆ ki
real ( kind=8 ) mod_analytic::analytic::ki |
Store ki, bjerrum usefull quantity independent of stoke radius.
◆ max_size
real(kind=8) mod_analytic::analytic::max_size |
◆ nbbin
integer mod_analytic::analytic::nbbin |
◆ nbtypes
integer mod_analytic::analytic::nbtypes |
Number of different types of solutes.
◆ parray_force
real(kind=8), dimension(:,:), pointer mod_analytic::analytic::parray_force |
◆ parray_force_hom_charged_surf
real(kind=8), dimension(:,:), pointer mod_analytic::analytic::parray_force_hom_charged_surf |
◆ parray_nrj
real(kind=8), dimension(:,:), pointer mod_analytic::analytic::parray_nrj |
define the arrays to store energy of interaction and force Could use 2 dimension array, to store for different types / stoke_radius
◆ parray_nrj_hom_charged_surf
real(kind=8), dimension(:,:), pointer mod_analytic::analytic::parray_nrj_hom_charged_surf |
◆ rep_radius
real(kind=8) mod_analytic::analytic::rep_radius |
◆ surface_charge_dens
real(kind=8) mod_analytic::analytic::surface_charge_dens |
in case of a homogeneously charged surface
◆ surface_prefct
real(kind=8) mod_analytic::analytic::surface_prefct |
◆ type
integer mod_analytic::analytic::type |
◆ vol_radius
real(kind=8) mod_analytic::analytic::vol_radius |
The documentation for this type was generated from the following file: