| 1 | c ---------------------------------------------------------------------- |
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| 2 | c EXAMPLE: Fermi-Dirac function in Fortran. |
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| 3 | c |
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| 4 | c This simple example shows how to use Rappture within a simulator |
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| 5 | c written in Fortran. |
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| 6 | c |
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| 7 | c ====================================================================== |
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| 8 | c AUTHOR: Michael McLennan, Purdue University |
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| 9 | c AUTHOR: Derrick Kearney, Purdue University |
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| 10 | c Copyright (c) 2004-2012 HUBzero Foundation, LLC |
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| 11 | c |
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| 12 | c See the file "license.terms" for information on usage and |
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| 13 | c redistribution of this file, and for a DISCLAIMER OF ALL WARRANTIES. |
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| 14 | c ====================================================================== |
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| 15 | |
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| 16 | program fermi |
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| 17 | IMPLICIT NONE |
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| 18 | |
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| 19 | integer rp_lib, rp_units_convert_dbl |
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| 20 | |
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| 21 | integer driver, ok, progress |
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| 22 | double precision T, Ef, kT, Emin, Emax, dE, f, E |
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| 23 | CHARACTER*100 inFile, strVal |
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| 24 | character*40 xy |
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| 25 | |
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| 26 | call getarg(1,inFile) |
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| 27 | driver = rp_lib(inFile) |
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| 28 | if (driver .eq. 0) then |
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| 29 | write(0,*) "Error while opening ",inFile |
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| 30 | stop |
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| 31 | endif |
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| 32 | |
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| 33 | call rp_lib_get(driver, |
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| 34 | + "input.number(temperature).current", strVal) |
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| 35 | ok = rp_units_convert_dbl(strVal,"K",T) |
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| 36 | if (ok .ne. 0) then |
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| 37 | write(strVal,*) "Error while converting temperature" |
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| 38 | write(0,*) strVal |
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| 39 | call rp_lib_put_str (driver,"output.log",strVal,0) |
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| 40 | call rp_result(driver) |
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| 41 | stop |
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| 42 | endif |
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| 43 | |
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| 44 | call rp_lib_get(driver, |
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| 45 | + "input.number(Ef).current", strVal) |
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| 46 | ok = rp_units_convert_dbl(strVal,"eV",Ef) |
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| 47 | if (ok .ne. 0) then |
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| 48 | write(strVal,*) "Error while converting Ef" |
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| 49 | write(0,*) strVal |
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| 50 | call rp_lib_put_str (driver,"output.log",strVal,0) |
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| 51 | call rp_result(driver) |
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| 52 | stop |
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| 53 | endif |
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| 54 | |
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| 55 | kT = 8.61734e-5 * T |
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| 56 | Emin = Ef - 10*kT |
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| 57 | Emax = Ef + 10*kT |
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| 58 | |
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| 59 | dE = 0.005*(Emax - Emin) |
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| 60 | |
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| 61 | c Label out graph with a title, x-axis label, |
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| 62 | c y-axis label and y-axis units |
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| 63 | |
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| 64 | call rp_lib_put_str (driver,"output.curve(f12).about.label", |
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| 65 | + "Fermi-Dirac Factor",0) |
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| 66 | call rp_lib_put_str (driver,"output.curve(f12).xaxis.label", |
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| 67 | + "Fermi-Dirac Factor",0) |
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| 68 | call rp_lib_put_str (driver,"output.curve(f12).yaxis.label", |
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| 69 | + "Energy",0) |
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| 70 | call rp_lib_put_str (driver,"output.curve(f12).yaxis.units", |
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| 71 | + "eV",0) |
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| 72 | |
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| 73 | do 10 E=Emin,Emax,dE |
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| 74 | f = 1.0/(1.0+exp((E-Ef)/kT)) |
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| 75 | progress = nint((E-Emin)/(Emax-Emin)*100) |
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| 76 | call rp_utils_progress (progress,"Iterating") |
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| 77 | write(xy,'(E20.12,F13.9,A)') f, E, char(10) |
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| 78 | call rp_lib_put_str (driver, |
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| 79 | + "output.curve(f12).component.xy", xy, 1) |
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| 80 | 10 continue |
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| 81 | |
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| 82 | call rp_result(driver) |
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| 83 | end program fermi |
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