SDA (SDA flex)  7.2
Simulation of Diffusional Association
List of all members
mod_parameters_ecm::param_ecm Type Reference

define input, output and internal parameters for ECM calculation More...

Collaboration diagram for mod_parameters_ecm::param_ecm:

Public Attributes

character *128 pdb_name
 input parameters, from file or arguments More...
 
character *128 test_charge_name
 
character *128 grid_name
 
real(kind=8) probes
 
real(kind=8) skin
 
real(kind=8) iostr
 
real(kind=8) epssol
 
real(kind=8) reg_charge
 
integer(kind=8) reg_level
 
character *128 eff_charge_name
 output parameters More...
 
integer(kind=8) nb_points
 used as global variables, avoid passing a lot of arguments More...
 
integer(kind=8) nb_points_skin
 
integer(kind=8) natoms
 
integer(kind=8) nsite
 
real(kind=8) deb
 

Detailed Description

define input, output and internal parameters for ECM calculation

Member Data Documentation

◆ deb

real ( kind=8 ) mod_parameters_ecm::param_ecm::deb

◆ eff_charge_name

character*128 mod_parameters_ecm::param_ecm::eff_charge_name

output parameters

◆ epssol

real ( kind=8 ) mod_parameters_ecm::param_ecm::epssol

◆ grid_name

character*128 mod_parameters_ecm::param_ecm::grid_name

◆ iostr

real ( kind=8 ) mod_parameters_ecm::param_ecm::iostr

◆ natoms

integer (kind=8) mod_parameters_ecm::param_ecm::natoms

◆ nb_points

integer (kind=8) mod_parameters_ecm::param_ecm::nb_points

used as global variables, avoid passing a lot of arguments

◆ nb_points_skin

integer (kind=8) mod_parameters_ecm::param_ecm::nb_points_skin

◆ nsite

integer (kind=8) mod_parameters_ecm::param_ecm::nsite

◆ pdb_name

character*128 mod_parameters_ecm::param_ecm::pdb_name

input parameters, from file or arguments

◆ probes

real ( kind=8 ) mod_parameters_ecm::param_ecm::probes

◆ reg_charge

real ( kind=8 ) mod_parameters_ecm::param_ecm::reg_charge

◆ reg_level

integer(kind=8) mod_parameters_ecm::param_ecm::reg_level

◆ skin

real ( kind=8 ) mod_parameters_ecm::param_ecm::skin

◆ test_charge_name

character*128 mod_parameters_ecm::param_ecm::test_charge_name

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