[問題] 請問一下我不能跑

看板Fortran作者garyer (gary)時間13年前 (2011/08/22 15:33)推噓3(3推 0噓 5→)

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請問各位大大以下是我的程式編輯內容因為我不是很懂fortran 老闆又要我把以下的內容轉成c++ 我有大約了解過各種指令的意義但是這個還是不能跑也找過f2c轉譯軟體但是就是不能跑可以請各位高手解惑一下麼縮網址http://pastie.org/2354079 program main implicit real*8 (a-h,o-z) implicit integer*4 (i-n) c freqmin and freqmax denote the range of energies (in eV) of interest parameter (freqmin=2.01d0) parameter (freqmax=7.5d0) c nplot is the number of points to plot: recommend (freqmax-freqmin)*100+1 parameter (nplot=15001) c numfreq is the maximum number of transitions to read from the input file parameter (numfreq=100) c sigma is the width of the gaussian broadening function in eV c parameter (sigma=1.2d0) c parameter (sigma=1.0d0) c parameter (sigma=0.8d0) c parameter (sigma=0.6d0) c parameter (sigma=0.4d0) c parameter (sigma=0.2d0) c parameter (sigma=0.18d0) parameter (sigma=0.1d0) c parameter (sigma=0.05d0) c scale is used primarily for vibrational frequencies as indicated below c use the following statement for HF frequencies with minimal basis c parameter (scale=0.893d0) c use the following statement for HF frequencies with pVDZ basis c parameter (scale=0.9135d0) c use the following statement for HF frequencies with pVTZ basis c parameter (scale=0.9248d0) c use the following statement for B3LYP frequencies with 6-31GD basis c parameter (scale=0.9614d0) parameter (scale=1.d0) dimension w(numfreq),a(numfreq),v(numfreq),b(numfreq) c fnplot1=nplot-1 delf=(freqmax-freqmin)/fnplot1 fwhm=sigma c open(unit=1,file='input.dat',status='old') c read(1,*) c read(1,*) do i=1,numfreq read(1,*,end=10) idum,w(i),v(i),a(i) c w(i)=scale*w(i) end do go to 11 10 continue npts=i-1 go to 12 11 continue npts=numfreq write(*,*) 'maximum number of frequencies read:',numfreq 12 continue close(unit=1) c do i=1,nplot fi=i-1 x=freqmin+fi*delf sum=0.d0 sums=0.d0 do j=1,npts sum=sum+a(j)*exp(-(x-w(j))**2/(2.d0*fwhm**2)) c sums=sums+b(j)*exp(-(x-v(j))**2/(2.d0*fwhm**2)) end do x=8065.54099*x y=1.d7/x write(*,*) i,x,y,sum end do c end -- ※ 發信站: 批踢踢實業坊(ptt.cc) ◆ From: 118.231.24.32 ※ 編輯: garyer 來自: 118.231.24.32 (08/22 15:34)

[問題] 請問一下 我不能跑

[問題] 請問一下我不能跑