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4Â¥2010-12-08 06:34:00
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Îʵúá£ÎÒ³õѧʱҲÔÚÕâ¸öÎÊÌâÉϾÀ½á¹ý¡£ºóÀ´ÎÒд³ÌÐò°ÑÁ½ÖÖË㷨ͬʱ¶¼ÓÃÁË£¬Êä³öÁ½Áнá¹û¡£¾­±È½Ï£¬¶þÕßÔÚÊýÖµÉϲî±ðÊǺÜСµÄ¡£ÁíÍ⣬°´LeachµÄÊ飨molecular modelling...)£¬ÊǶÔÿ¸öÁ£×Ó£¬ÉÏÏ·ֱð¶Ôʱ¼äÔ­µãÇ󯽾ùºóÔÙ³ý£¬È»ºóÔÙ¶ÔÁ£×ÓÇóºÍ£¬È»ºóÔÙ³ýÒÔ×ÜÁ£×ÓÊý£¬Ò²¾ÍÊÇÓõÄÄãµÄµÚÒ»¸ö·½°¸¡£

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2Â¥2010-12-07 10:59:29
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ÒýÓûØÌû:
Originally posted by ÀÏ»¢´óÍõ at 2010-12-07 10:59:29:
Îʵúá£ÎÒ³õѧʱҲÔÚÕâ¸öÎÊÌâÉϾÀ½á¹ý¡£ºóÀ´ÎÒд³ÌÐò°ÑÁ½ÖÖË㷨ͬʱ¶¼ÓÃÁË£¬Êä³öÁ½Áнá¹û¡£¾­±È½Ï£¬¶þÕßÔÚÊýÖµÉϲî±ðÊǺÜСµÄ¡£ÁíÍ⣬°´LeachµÄÊ飨molecular modelling...)£¬ÊǶÔÿ¸öÁ£×Ó£¬ÉÏÏ·ֱð¶Ôʱ¼äÔ­µãÇó ...

ÇëÎÊÀÏ»¢´óÍõ£¬ÎÒÔÚд³ÌÐòµÄʱºòÖ±½Ó°Ñt=0µÄÏà¹Øº¯Êý×ö·ÖĸÁË£¬Ò²¾ÍÊÇ tcf(delt)=tcf(delt)+tcf(ntel)*tcf0(t)/ tcf0(t)*tcf0(t)£¬¿ÉÊÇÊä³ö´íÎó£¬ÇëÎÊ£¬ÎÒÕâÑùдΪʲô²»¿ÉÒÔÄØ£¿Ó¦¸ÃÔõÑùд£¿
do i=1,10000 (Á£×ÓÊý)
     do ntel=1,npoints (¹²ÓÐnpoints¸öÊý¾Ý)
          if (È·¶¨timeoriginµÄÌõ¼þ) then
             t0=t0+1
             time0(t0)=ntel
             tcf0(t0)=tcf(ntel)         
             do t=1,t0
                  delt=ntel-time0(t)+1
                  tcf(delt)=tcf(delt)+tcf(ntel)*tcf0(t)/ tcf0(t)*tcf0(t)
             enddo
           endif
    enddo
enddo
do ical=1,npoints
tcf(ical)=tcf(ical)/(npoints*ntime(t))
write(*,*) ical, tcf(ical)
enddo
3Â¥2010-12-07 15:57:21
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ÒýÓûØÌû:
Originally posted by ÀÏ»¢´óÍõ at 2010-12-07 10:59:29:
Îʵúá£ÎÒ³õѧʱҲÔÚÕâ¸öÎÊÌâÉϾÀ½á¹ý¡£ºóÀ´ÎÒд³ÌÐò°ÑÁ½ÖÖË㷨ͬʱ¶¼ÓÃÁË£¬Êä³öÁ½Áнá¹û¡£¾­±È½Ï£¬¶þÕßÔÚÊýÖµÉϲî±ðÊǺÜСµÄ¡£ÁíÍ⣬°´LeachµÄÊ飨molecular modelling...)£¬ÊǶÔÿ¸öÁ£×Ó£¬ÉÏÏ·ֱð¶Ôʱ¼äÔ­µãÇó ...

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do i=1,10000 (Á£×ÓÊý)
     do ntel=1,npoints (¹²ÓÐnpoints¸öÊý¾Ý)
          if (È·¶¨timeoriginµÄÌõ¼þ) then
             t0=t0+1
             time0(t0)=ntel
             tcf0(t0)=tcf(ntel)         
             do t=1,t0
                  delt=ntel-time0(t)+1
                  if(delt.lt.npoints)
                  tcf(delt)=tcf(delt)+tcf(ntel)*tcf0(t)
                  tcf0(delt)=tcf0(delt)+tcf0(t)*tcf0(t)
                  acf(delt)=tcf(delt)+tcf(ntel)*tcf0(t)/ tcf0(t)*tcf0(t)
              endif
            enddo
           endif
    enddo
enddo
do ical=1,npoints
tcf(ical)=(tcf(ical)/(npoints*ntime(t))/(tcf0(ical)/(npoints*ntime(t))
acf(ical)=acf(ical)/(npoints*ntime(t))
write(*,*) ical, tcf(ical)
write(*,*) ical, acf(ical)
enddo
ÏÂÃæÊÇÎÒµÄÊä³ö½á¹û£¨ÎÒÖ»½ØÈ¡ÁËÒ»²¿·Ö£©
  0.0000000000000000        1.0000000000000000     
   0.0000000000000000       1.14207400639561443E-004
   1.0000000149011612       0.67655786350148372     
   1.0000000149011612       7.72679149727596715E-005
   2.0000000298023224       0.62686567164179108     
   2.0000000298023224       7.15926989083817998E-005
   3.0000000447034836       0.60360360360360366     
   3.0000000447034836       6.89359985842397961E-005
   4.0000000596046448       0.58610271903323263     
   4.0000000596046448       6.69372680485647080E-005
   5.0000000745058060       0.57012195121951215     
   5.0000000745058060       6.51121460963353292E-005
   6.0000000894069672       0.55828220858895705     
   6.0000000894069672       6.37599598662582241E-005
   7.0000001043081284       0.54629629629629639     
   7.0000001043081284       6.23910799790196834E-005
   8.0000001192092896       0.51552795031055898     
   8.0000001192092896       5.88771071620099369E-005
   9.0000001341104507       0.52187499999999998     
   9.0000001341104507       5.96019872087711250E-005
   10.000000149011612       0.52515723270440251     
   10.000000149011612       5.99768424742350986E-005
5Â¥2010-12-10 00:17:07
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