mod_gouy_chapman Module Reference

Functions/Subroutines
subroutine	gouy_chapman (z_height, kappa, sigma, phi_at_z)
subroutine	gradient (z_height, kappa, sigma, F)
subroutine	phi_0 (sigma, kappa, phi)
subroutine	phi_z (z, kappa, phi_0, phi)

Variables
real(kind=8), parameter	temperature = temper
real(kind=8), parameter	k = kcnst
real(kind=8), parameter	beta = (Temperature*k)**(-1)
real(kind=8), parameter	epsilon_r = epssol
real(kind=8), parameter	epsilon_0 = epsi_o
real(kind=8), parameter	n_a = navo
real(kind=8), parameter	c = e_q/(2*k* Temperature)

Detailed Description

Version

{version 7.2.3 (2019)}

Copyright (c) 2009, 2010, 2015, 2016, 2019 Heidelberg Institute of Theoretical Studies (HITS, www.h-its.org) Schloss-Wolfsbrunnenweg 35 69118 Heidelberg, Germany

Please send your contact address to get information on updates and new features to "mcmsoft@h-its.org". Questions will be answered as soon as possible.

References: see also http://mcm.h-its.org/sda7/do:c/doc_sda7/references.html:

Brownian dynamics simulation of protein-protein diffusional encounter. (1998) Methods, 14, 329-341.

SDA 7: A modular and parallel implementation of the simulation of diffusional association software. Journal of computational chemistry 36.21 (2015): 1631-1645.

Authors: M.Martinez, N.J.Bruce, J.Romanowska, D.B.Kokh, P.Mereghetti, X. Yu, M. Ozboyaci, M. Reinhardt, P. Friedrich, R.R.Gabdoulline, S.Richter and R.C.Wade

---

Function/Subroutine Documentation

gouy_chapman()

subroutine mod_gouy_chapman::gouy_chapman	(	real( kind=8 ), intent(in)	z_height,
		real( kind=8 ), intent(in)	kappa,
		real( kind=8 ), intent(in)	sigma,
		real( kind=8 ), intent(out)	phi_at_z
	)

Here is the call graph for this function:

Here is the caller graph for this function:

gradient()

subroutine mod_gouy_chapman::gradient	(	real( kind=8 ), intent(in)	z_height,
		real( kind=8 ), intent(in)	kappa,
		real( kind=8 ), intent(in)	sigma,
		real( kind=8 ), intent(out)	F
	)

Here is the call graph for this function:

Here is the caller graph for this function:

phi_0()

subroutine mod_gouy_chapman::phi_0	(	real( kind=8 ), intent(in)	sigma,
		real( kind=8 ), intent(in)	kappa,
		real( kind=8 ), intent(out)	phi
	)

Here is the caller graph for this function:

phi_z()

subroutine mod_gouy_chapman::phi_z	(	real( kind=8 ), intent(in)	z,
		real( kind=8 ), intent(in)	kappa,
		real( kind=8 ), intent(in)	phi_0,
		real( kind=8 ), intent(out)	phi
	)

Here is the call graph for this function:

Here is the caller graph for this function:

Variable Documentation

beta

real( kind=8 ), parameter mod_gouy_chapman::beta = (Temperature*k)**(-1)

c

real( kind=8 ), parameter mod_gouy_chapman::c = e_q/(2*k* Temperature)

epsilon_0

real( kind=8 ), parameter mod_gouy_chapman::epsilon_0 = epsi_o

epsilon_r

real( kind=8 ), parameter mod_gouy_chapman::epsilon_r = epssol

k

real( kind=8 ), parameter mod_gouy_chapman::k = kcnst

n_a

real( kind=8 ), parameter mod_gouy_chapman::n_a = navo

temperature

real( kind=8 ), parameter mod_gouy_chapman::temperature = temper