SDA (SDA flex)  7.2
Simulation of Diffusional Association
Public Attributes | List of all members
mod_record::listcomplexe Type Reference

Complexes implemented as a list, fast insertion and deletion
To define a list, we use type NodeComplexe which contains one object
Can extend the description here. More...

Collaboration diagram for mod_record::listcomplexe:

Public Attributes

type(nodecomplexe), pointer p_first
 pointer on first and last node, last necessary for reaching the end More...
 
type(nodecomplexe), pointer p_last
 
type(nodecomplexe), pointer p_current
 only pointer, associated to current node, never allocated More...
 
real(kind=8) max_energy
 
real(kind=8) rmsd_min
 
integer nb_complexe
 actual number of complexes, maximum nb of complexes in record More...
 
logical one_run
 option for rmsd_min More...
 
logical one_conf
 

Detailed Description

Complexes implemented as a list, fast insertion and deletion
To define a list, we use type NodeComplexe which contains one object
Can extend the description here.

Member Data Documentation

◆ max_energy

real ( kind=8 ) mod_record::listcomplexe::max_energy

◆ nb_complexe

integer mod_record::listcomplexe::nb_complexe

actual number of complexes, maximum nb of complexes in record

◆ one_conf

logical mod_record::listcomplexe::one_conf

◆ one_run

logical mod_record::listcomplexe::one_run

option for rmsd_min

◆ p_current

type ( nodecomplexe ), pointer mod_record::listcomplexe::p_current

only pointer, associated to current node, never allocated

◆ p_first

type ( nodecomplexe ), pointer mod_record::listcomplexe::p_first

pointer on first and last node, last necessary for reaching the end

◆ p_last

type ( nodecomplexe ), pointer mod_record::listcomplexe::p_last

◆ rmsd_min

real ( kind=8 ) mod_record::listcomplexe::rmsd_min

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