SDA  7.1
Simulation of Diffusional Association
 All Classes Files Functions Variables Groups Pages
Data Types | Public Attributes | List of all members
com_sda Module Reference

Module with general small structures. More...

Collaboration diagram for com_sda:

Data Types

type  parameter_analytic
 Analytic parameters.
To extend for all analytic interactions, include hydrodynamics input. More...
 
type  parameter_metaldesolv
 Group MetalDesolvation parameters. More...
 
type  parameter_pmf
 Group PMF parameters. More...
 
type  parameter_timestep
 Define type for timestep, can be variable in sda. More...
 
type  probe_type
 Group probe variables. More...
 
type  type_option_omp
 To group OpenMP option, only used for the merging of complexes. More...
 

Public Attributes

real(kind=8), parameter rcnst = 1.987e-3
 if R = 1,987 cal/(mol.K), from k = R/ Na find correct value (wikipedia) 3.289.10^(-24) cal/K here expressed in kcal/mol
 
real(kind=8), parameter rcnstj = 8.314472d0
 
real(kind=8), parameter kcnst = 1.3806503e-23
 
real(kind=8), parameter e_q = 1.602176487e-19
 
real(kind=8), parameter temper = 300.d0
 
real(kind=8), parameter epssol = 78.5d0
 
real(kind=8), parameter epsi_o = 8.854187817e-12
 
real(kind=8), parameter navo = 6.0221415e23
 
real(kind=8), parameter pi = 3.14159265358979d0
 
integer, parameter max_nb_integer_bit = 8
 maximum size for the variable array, not used by sda, but by tool read_record if here, will be easier to modify, should always be less then 16 (integer(kind=2))
 
integer, parameter max_nb_real_bit = 15
 
logical exit_prog = .false.
 
integer, parameter inputf =10
 Input / Output, not all used..
Used for output, has a name which can be modified.
 
integer, parameter io6 =6
 
integer, parameter iocmx =55
 
integer, parameter iocmxn =56
 
integer, parameter io_restart = 57
 
integer, parameter iopoti =77
 
integer, parameter iurxna =52
 
integer, parameter io_bootstrp = 200
 
integer, parameter io_boot_fpt = 201
 
integer, parameter io_steps = 300
 
integer, parameter io_rdf = 400
 
integer, parameter iocmxp =88
 
integer, parameter iopmf =89
 

Detailed Description

Module with general small structures.


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