Module with general small structures. More...

Data Types
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...

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...

Variables
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 More...

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)) More...

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. More...

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

integer, parameter	io_startend = 83

Detailed Description

Module with general small structures.

Variable Documentation

◆ e_q

real( kind=8 ), parameter com_sda::e_q = 1.602176487e-19

◆ epsi_o

real( kind=8 ), parameter com_sda::epsi_o = 8.854187817e-12

◆ epssol

real( kind=8 ), parameter com_sda::epssol = 78.5d0

◆ exit_prog

logical com_sda::exit_prog = .false.

◆ inputf

integer, parameter com_sda::inputf =10

Input / Output, not all used..
Used for output, has a name which can be modified.

◆ io6

integer, parameter com_sda::io6 =6

◆ io_boot_fpt

integer, parameter com_sda::io_boot_fpt = 201

◆ io_bootstrp

integer, parameter com_sda::io_bootstrp = 200

◆ io_rdf

integer, parameter com_sda::io_rdf = 400

◆ io_restart

integer, parameter com_sda::io_restart = 57

◆ io_startend

integer, parameter com_sda::io_startend = 83

◆ io_steps

integer, parameter com_sda::io_steps = 300

◆ iocmx

integer, parameter com_sda::iocmx =55

◆ iocmxn

integer, parameter com_sda::iocmxn =56

◆ iocmxp

integer, parameter com_sda::iocmxp =88

◆ iopmf

integer, parameter com_sda::iopmf =89

◆ iopoti

integer, parameter com_sda::iopoti =77

◆ iurxna

integer, parameter com_sda::iurxna =52

◆ kcnst

real( kind=8 ), parameter com_sda::kcnst = 1.3806503e-23

◆ max_nb_integer_bit

integer, parameter com_sda::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))

◆ max_nb_real_bit

integer, parameter com_sda::max_nb_real_bit = 15

◆ navo

real( kind=8 ), parameter com_sda::navo = 6.0221415e23

◆ pi

real( kind=8 ), parameter com_sda::pi = 3.14159265358979d0

◆ rcnst

real( kind=8 ), parameter com_sda::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

◆ rcnstj

real( kind=8 ), parameter com_sda::rcnstj = 8.314472d0

◆ temper

real( kind=8 ), parameter com_sda::temper = 300.d0

Data Types

Variables