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open(unit=Fout,file='out.dat') write(fout,'(A)') 'zone ' do i=1,counter if(z(i)>z0min+5.0.and. z(i)<z0max-5.0) then write(fout,'(5(3x e15.6))') x(i),y(i),z(i),vone(i) : ,rot(i) if(vone(i)<5.0) then AllStra=vone(i)+AllStra numall=numall+1 endif endif enddo write(fout,'(A)') 'zone ' do i=1,gbnum j=gbid(i) if(z(j)>z0min+5.0.and. z(j)<z0max-5.0) then write(fout,'(5(3x e15.6))') x(j),y(j),z(j),vone(j) : ,rot(j) if(vone(j)<5.0) then GbStra=vone(j)+GbStra numgb=numgb+1 endif endif enddo GbStra=GbStra AllStra = AllStra print*, '%Gb atoms:', 1.0*numgb/numall print*,'--------------------strain %------------------' print*,' Ave %GB %ResT' write(*,'(3(3x e15.6))') AllStra/numall,GbStra/AllStra, : 1.0-GbStra/AllStra c print*,'e=',AllStra/numall,'GB%=',GbStra/AllStra, c : 'Rest%=', 1.0-GbStra/AllStra print*,'--------------------strain ave------------------' print*,' Ave GBe ResTe' write(*,'(3(3x e15.6))') AllStra/numall, : GbStra/numgb, : (AllStra-GbStra)/(numall-numgb) print*,'-------------normal-strain ave------------------' write(*,'(3(3x e15.6))') AllStra/numall, : GbStra/numgb/AllStra*numall, : (AllStra-GbStra)/(numall-numgb)/AllStra*numall c print*,'Av e=',AllStra/numall,'GB=',GbStra/numgb, c : 'Rest=',(AllStra-GbStra)/(numall-numgb) close(fout) ÎÒÖ»ÖªµÀÕâ¶Î³ÌÐòÄÜÉú³ÉÒ»¸öout.datÎļþ£¬²»¶®ÊÇÔõôÉú³ÉµÄ¡¢ÈçºÎ¼ÆËãµÄ¡£Çó³ÌÐò´óÉñ°ïæ |
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