testtag.xmo

一个很好的分子动力学程序

XMD (Version 2.5.29 Nov 27 2000)

Not using pthread library.
Not using asm("finit"); patch in thread routines.
#
#  Test new WRITE COR TAG command
#
box 4 4 4
fill particle 2
fill go
***   Number new particles  128
select box 0 0 0 2 4 4
***  NUMBER SELECTED 64
tag 4
select box 2 0 0 4 4 4
***  NUMBER SELECTED 64
tag 5
write cor test.cor
write cor tag testtag.cor
#  
#  Read and print cor files
#
cor test.cor
write particle
PARTICLE      128
     1     0.2500     0.2500     0.2500
     2     0.7500     0.7500     0.7500
     1     0.2500     0.2500     1.2500
     2     0.7500     0.7500     1.7500
     1     0.2500     0.2500     2.2500
     2     0.7500     0.7500     2.7500
     1     0.2500     0.2500     3.2500
     2     0.7500     0.7500     3.7500
     1     0.2500     1.2500     0.2500
     2     0.7500     1.7500     0.7500
     1     0.2500     1.2500     1.2500
     2     0.7500     1.7500     1.7500
     1     0.2500     1.2500     2.2500
     2     0.7500     1.7500     2.7500
     1     0.2500     1.2500     3.2500
     2     0.7500     1.7500     3.7500
     1     0.2500     2.2500     0.2500
     2     0.7500     2.7500     0.7500
     1     0.2500     2.2500     1.2500
     2     0.7500     2.7500     1.7500
     1     0.2500     2.2500     2.2500
     2     0.7500     2.7500     2.7500
     1     0.2500     2.2500     3.2500
     2     0.7500     2.7500     3.7500
     1     0.2500     3.2500     0.2500
     2     0.7500     3.7500     0.7500
     1     0.2500     3.2500     1.2500
     2     0.7500     3.7500     1.7500
     1     0.2500     3.2500     2.2500
     2     0.7500     3.7500     2.7500
     1     0.2500     3.2500     3.2500
     2     0.7500     3.7500     3.7500
     1     1.2500     0.2500     0.2500
     2     1.7500     0.7500     0.7500
     1     1.2500     0.2500     1.2500
     2     1.7500     0.7500     1.7500
     1     1.2500     0.2500     2.2500
     2     1.7500     0.7500     2.7500
     1     1.2500     0.2500     3.2500
     2     1.7500     0.7500     3.7500
     1     1.2500     1.2500     0.2500
     2     1.7500     1.7500     0.7500
     1     1.2500     1.2500     1.2500
     2     1.7500     1.7500     1.7500
     1     1.2500     1.2500     2.2500
     2     1.7500     1.7500     2.7500
     1     1.2500     1.2500     3.2500
     2     1.7500     1.7500     3.7500
     1     1.2500     2.2500     0.2500
     2     1.7500     2.7500     0.7500
     1     1.2500     2.2500     1.2500
     2     1.7500     2.7500     1.7500
     1     1.2500     2.2500     2.2500
     2     1.7500     2.7500     2.7500
     1     1.2500     2.2500     3.2500
     2     1.7500     2.7500     3.7500
     1     1.2500     3.2500     0.2500
     2     1.7500     3.7500     0.7500
     1     1.2500     3.2500     1.2500
     2     1.7500     3.7500     1.7500
     1     1.2500     3.2500     2.2500
     2     1.7500     3.7500     2.7500
     1     1.2500     3.2500     3.2500
     2     1.7500     3.7500     3.7500
     1     2.2500     0.2500     0.2500
     2     2.7500     0.7500     0.7500
     1     2.2500     0.2500     1.2500
     2     2.7500     0.7500     1.7500
     1     2.2500     0.2500     2.2500
     2     2.7500     0.7500     2.7500
     1     2.2500     0.2500     3.2500
     2     2.7500     0.7500     3.7500
     1     2.2500     1.2500     0.2500
     2     2.7500     1.7500     0.7500
     1     2.2500     1.2500     1.2500
     2     2.7500     1.7500     1.7500
     1     2.2500     1.2500     2.2500
     2     2.7500     1.7500     2.7500
     1     2.2500     1.2500     3.2500
     2     2.7500     1.7500     3.7500
     1     2.2500     2.2500     0.2500
     2     2.7500     2.7500     0.7500
     1     2.2500     2.2500     1.2500
     2     2.7500     2.7500     1.7500
     1     2.2500     2.2500     2.2500
     2     2.7500     2.7500     2.7500
     1     2.2500     2.2500     3.2500
     2     2.7500     2.7500     3.7500
     1     2.2500     3.2500     0.2500
     2     2.7500     3.7500     0.7500
     1     2.2500     3.2500     1.2500
     2     2.7500     3.7500     1.7500
     1     2.2500     3.2500     2.2500
     2     2.7500     3.7500     2.7500
     1     2.2500     3.2500     3.2500
     2     2.7500     3.7500     3.7500
     1     3.2500     0.2500     0.2500
     2     3.7500     0.7500     0.7500
     1     3.2500     0.2500     1.2500
     2     3.7500     0.7500     1.7500
     1     3.2500     0.2500     2.2500
     2     3.7500     0.7500     2.7500
     1     3.2500     0.2500     3.2500
     2     3.7500     0.7500     3.7500
     1     3.2500     1.2500     0.2500
     2     3.7500     1.7500     0.7500
     1     3.2500     1.2500     1.2500
     2     3.7500     1.7500     1.7500
     1     3.2500     1.2500     2.2500
     2     3.7500     1.7500     2.7500
     1     3.2500     1.2500     3.2500
     2     3.7500     1.7500     3.7500
     1     3.2500     2.2500     0.2500
     2     3.7500     2.7500     0.7500
     1     3.2500     2.2500     1.2500
     2     3.7500     2.7500     1.7500
     1     3.2500     2.2500     2.2500
     2     3.7500     2.7500     2.7500
     1     3.2500     2.2500     3.2500
     2     3.7500     2.7500     3.7500
     1     3.2500     3.2500     0.2500
     2     3.7500     3.7500     0.7500
     1     3.2500     3.2500     1.2500
     2     3.7500     3.7500     1.7500
     1     3.2500     3.2500     2.2500
     2     3.7500     3.7500     2.7500
     1     3.2500     3.2500     3.2500
     2     3.7500     3.7500     3.7500
cor testtag.cor
write particle
PARTICLE      128
     5     0.2500     0.2500     0.2500
     5     0.7500     0.7500     0.7500
     5     0.2500     0.2500     1.2500
     5     0.7500     0.7500     1.7500
     5     0.2500     0.2500     2.2500
     5     0.7500     0.7500     2.7500
     5     0.2500     0.2500     3.2500
     5     0.7500     0.7500     3.7500
     5     0.2500     1.2500     0.2500
     5     0.7500     1.7500     0.7500
     5     0.2500     1.2500     1.2500
     5     0.7500     1.7500     1.7500
     5     0.2500     1.2500     2.2500
     5     0.7500     1.7500     2.7500
     5     0.2500     1.2500     3.2500
     5     0.7500     1.7500     3.7500
     5     0.2500     2.2500     0.2500
     5     0.7500     2.7500     0.7500
     5     0.2500     2.2500     1.2500
     5     0.7500     2.7500     1.7500
     5     0.2500     2.2500     2.2500
     5     0.7500     2.7500     2.7500
     5     0.2500     2.2500     3.2500
     5     0.7500     2.7500     3.7500
     5     0.2500     3.2500     0.2500
     5     0.7500     3.7500     0.7500
     5     0.2500     3.2500     1.2500
     5     0.7500     3.7500     1.7500
     5     0.2500     3.2500     2.2500
     5     0.7500     3.7500     2.7500
     5     0.2500     3.2500     3.2500
     5     0.7500     3.7500     3.7500
     5     1.2500     0.2500     0.2500
     5     1.7500     0.7500     0.7500
     5     1.2500     0.2500     1.2500
     5     1.7500     0.7500     1.7500
     5     1.2500     0.2500     2.2500
     5     1.7500     0.7500     2.7500
     5     1.2500     0.2500     3.2500
     5     1.7500     0.7500     3.7500
     5     1.2500     1.2500     0.2500
     5     1.7500     1.7500     0.7500
     5     1.2500     1.2500     1.2500
     5     1.7500     1.7500     1.7500
     5     1.2500     1.2500     2.2500
     5     1.7500     1.7500     2.7500
     5     1.2500     1.2500     3.2500
     5     1.7500     1.7500     3.7500
     5     1.2500     2.2500     0.2500
     5     1.7500     2.7500     0.7500
     5     1.2500     2.2500     1.2500
     5     1.7500     2.7500     1.7500
     5     1.2500     2.2500     2.2500
     5     1.7500     2.7500     2.7500
     5     1.2500     2.2500     3.2500
     5     1.7500     2.7500     3.7500
     5     1.2500     3.2500     0.2500
     5     1.7500     3.7500     0.7500
     5     1.2500     3.2500     1.2500
     5     1.7500     3.7500     1.7500
     5     1.2500     3.2500     2.2500
     5     1.7500     3.7500     2.7500
     5     1.2500     3.2500     3.2500
     5     1.7500     3.7500     3.7500
     6     2.2500     0.2500     0.2500
     6     2.7500     0.7500     0.7500
     6     2.2500     0.2500     1.2500
     6     2.7500     0.7500     1.7500
     6     2.2500     0.2500     2.2500
     6     2.7500     0.7500     2.7500
     6     2.2500     0.2500     3.2500
     6     2.7500     0.7500     3.7500
     6     2.2500     1.2500     0.2500
     6     2.7500     1.7500     0.7500
     6     2.2500     1.2500     1.2500
     6     2.7500     1.7500     1.7500
     6     2.2500     1.2500     2.2500
     6     2.7500     1.7500     2.7500
     6     2.2500     1.2500     3.2500
     6     2.7500     1.7500     3.7500
     6     2.2500     2.2500     0.2500
     6     2.7500     2.7500     0.7500
     6     2.2500     2.2500     1.2500
     6     2.7500     2.7500     1.7500
     6     2.2500     2.2500     2.2500
     6     2.7500     2.7500     2.7500
     6     2.2500     2.2500     3.2500
     6     2.7500     2.7500     3.7500
     6     2.2500     3.2500     0.2500
     6     2.7500     3.7500     0.7500
     6     2.2500     3.2500     1.2500
     6     2.7500     3.7500     1.7500
     6     2.2500     3.2500     2.2500
     6     2.7500     3.7500     2.7500
     6     2.2500     3.2500     3.2500
     6     2.7500     3.7500     3.7500
     6     3.2500     0.2500     0.2500
     6     3.7500     0.7500     0.7500
     6     3.2500     0.2500     1.2500
     6     3.7500     0.7500     1.7500
     6     3.2500     0.2500     2.2500
     6     3.7500     0.7500     2.7500
     6     3.2500     0.2500     3.2500
     6     3.7500     0.7500     3.7500
     6     3.2500     1.2500     0.2500
     6     3.7500     1.7500     0.7500
     6     3.2500     1.2500     1.2500
     6     3.7500     1.7500     1.7500
     6     3.2500     1.2500     2.2500
     6     3.7500     1.7500     2.7500
     6     3.2500     1.2500     3.2500
     6     3.7500     1.7500     3.7500
     6     3.2500     2.2500     0.2500
     6     3.7500     2.7500     0.7500
     6     3.2500     2.2500     1.2500
     6     3.7500     2.7500     1.7500
     6     3.2500     2.2500     2.2500
     6     3.7500     2.7500     2.7500
     6     3.2500     2.2500     3.2500
     6     3.7500     2.7500     3.7500
     6     3.2500     3.2500     0.2500
     6     3.7500     3.7500     0.7500
     6     3.2500     3.2500     1.2500
     6     3.7500     3.7500     1.7500
     6     3.2500     3.2500     2.2500
     6     3.7500     3.7500     2.7500
     6     3.2500     3.2500     3.2500
     6     3.7500     3.7500     3.7500

TIME INFORMATION
   Ending   Time: 03/19/2001   13:41:09
   Elapsed  Time: 0 min 00 sec

ERROR STATISTICS
   Number of Fatal Errors:               0
   Number of Unknown Command Errors:     0
   Number of Misc. Warnings:             0