| 1 | c file fermi_example.f |
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| 2 | |
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| 3 | program fermi_example |
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| 4 | IMPLICIT NONE |
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| 5 | |
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| 6 | integer rp_lib |
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| 7 | real*8 rp_lib_get_double |
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| 8 | |
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| 9 | CHARACTER*100 inFile, outFile |
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| 10 | character*100 T_path, Ef_path, outPath |
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| 11 | character*40 xy |
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| 12 | integer handle |
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| 13 | real*8 T,Ef,kT,Emin,Emax,dE,f,E,kTconstExp |
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| 14 | |
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| 15 | ! inFile = "driver.xml" |
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| 16 | call getarg(1,inFile) |
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| 17 | outFile = "run.xml" |
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| 18 | |
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| 19 | handle = 0 |
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| 20 | |
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| 21 | handle = rp_lib(inFile) |
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| 22 | |
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| 23 | T_path = "input.(ambient).(temperature).current" |
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| 24 | Ef_path = "input.number(Ef).default" |
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| 25 | |
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| 26 | T = rp_lib_get_double(handle,T_path) |
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| 27 | Ef = rp_lib_get_double(handle,Ef_path) |
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| 28 | |
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| 29 | |
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| 30 | c kT = 8.61734e-5 * T |
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| 31 | kTconstExp = (10.0)**(-5.0) |
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| 32 | kT = (8.61734*kTconstExp) * T |
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| 33 | |
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| 34 | Emin = (Ef - (10*kT)) |
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| 35 | Emax = (Ef + (10*kT)) |
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| 36 | |
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| 37 | dE = (0.005)*(Emax - Emin) |
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| 38 | |
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| 39 | outPath = "output.curve(f12).xaxis.label" |
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| 40 | call rp_lib_put_str(handle,outPath,"f12 x label",1) |
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| 41 | outPath = "output.curve(f12).yaxis.label" |
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| 42 | call rp_lib_put_str(handle,outPath,"f12 y label",1) |
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| 43 | |
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| 44 | outPath = "output.curve(f12).component.xy" |
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| 45 | |
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| 46 | do 15,E = Emin,Emax,dE |
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| 47 | f = 1.0/(1.0+exp((E-Ef)/kT)) |
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| 48 | write(xy,'(E20.12,F13.9,A)')f,E,char(10) |
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| 49 | call rp_lib_put_str(handle,outPath,xy,1) |
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| 50 | 15 continue |
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| 51 | |
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| 52 | outPath = "output.curve(f13).xaxis.label" |
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| 53 | call rp_lib_put_str(handle,outPath,"f13 x label",1) |
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| 54 | outPath = "output.curve(f13).yaxis.label" |
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| 55 | call rp_lib_put_str(handle,outPath,"f13 y label",1) |
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| 56 | |
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| 57 | outPath = "output.curve(f13).component.xy" |
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| 58 | |
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| 59 | do 16,E = Emin,Emax,dE |
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| 60 | f = -1.0/(1.0+exp((E-Ef)/kT)) |
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| 61 | write(xy,'(E20.12,F13.9,A)')f,E,char(10) |
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| 62 | call rp_lib_put_str(handle,outPath,xy,1) |
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| 63 | 16 continue |
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| 64 | |
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| 65 | |
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| 66 | call rp_lib_write_xml(handle, outFile) |
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| 67 | call rp_quit() |
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| 68 | |
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| 69 | print *,"=RAPPTURE-RUN=>"//outFile |
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| 70 | |
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| 71 | end program fermi_example |
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