SDA (SDA flex)  7.2
Simulation of Diffusional Association
List of all members
mod_analytic::analytic Type Reference

Define tyoe analytic interactions (Debye-Huckel/crowders) More...

Collaboration diagram for mod_analytic::analytic:

Public Attributes

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
 

Detailed Description

Define tyoe analytic interactions (Debye-Huckel/crowders)

Member Data Documentation

◆ 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

◆ h

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

Array properties, 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

type of the array

◆ vol_radius

real(kind=8) mod_analytic::analytic::vol_radius

The documentation for this type was generated from the following file:
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