run

用FORTRAN语言编的分子动力学源码。

#! /bin/csh -f
cp 	lj.model        	fort.25
foreach rho (0.70)
  echo " --- rho ${rho} "  		>> out
  echo " --- rho ${rho} "  
  cat > fort.15  <<endofdata
  ibeg  , nequil  , lmax   nsamp  iseed
   0      00       200   1        368675
  dr
  0.09 
  ndispl
  50  
  npart temp rho
  100   2.0  ${rho} 
endofdata
 cp 	lj.res          	fort.11
 cp 	lj.model          	fort.25
 time  ../Source/mc_nvt  		>>& out 
 cp 	fort.21         	lj.res
 cp 	fort.66         	lj.prt
 #perform block analysis
 cp 	lj.prth 		fort.31
 mv  	lj.prt 			fort.32
 ../Block/block  	 		>>& out 
 rm fort.*
end
exit