File: parameters.m

package info (click to toggle)
apbs 3.4.1-7
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 199,188 kB
  • sloc: ansic: 284,988; cpp: 60,416; fortran: 44,896; xml: 13,895; sh: 13,838; python: 8,105; yacc: 2,922; makefile: 1,428; f90: 989; objc: 448; lex: 294; awk: 266; sed: 205; java: 134; csh: 79
file content (16 lines) | stat: -rw-r--r-- 512 bytes parent folder | download | duplicates (19) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
 
% parameters

% define parameters
e_c = 4.8032424e-10;  %statcoulombs
k_B = 1.3806581e-16;  %erg K-1
N_A = 6.0221367e+23;
dielw=bulk(2);
diel=8.8541878e-12; %F m-1 or C^2 N-1 m-2
bulkIonicStrength=bulk(1);
pre1=e_c^2/(dielw*k_B*T)*1e+8;
xkappa = sqrt((bulkIonicStrength*1.0e-16*8*pi*N_A*e_c^2)/(1000*dielw*k_B*T));

zmagic=4*pi*e_c^2/(k_B*T)*10^8; % should be derived from unit conversions similar to zmagic in VPBE.c of APBS's source code

Squared_Debye_Huckel=25897036486.0*bulk(1)*bulk(2)/T;