符号fix,请问命令行中的&符号是什么意思!"/>
计算机符号fix,请问命令行中的&符号是什么意思!
手册中的源码:
============================================================
atom_style atomic
units real
variable kB equal 1.3806504e?23 # [J/K] Boltzmann
variable kCal2J equal 4186.0/6.02214e23
variable T equal 70
variable V equal vol
variable dt equal 4.0
variable p equal 200 # correlation length
variable s equal 10 # sample interval
variable d equal $p*$s # dump interval
#==============================================================
dimension 3
boundary p p p
lattice fcc 5.376 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
region box block 0 4 0 4 0 4
create_box 1 box
create_atoms 1 box
mass 1 39.948
pair_style lj/cut 13.0
pair_coeff * * 0.2381 3.405
timestep ${dt}
thermo $d
#=============equilibration and thermalization================
velocity all create $T 102486 mom yes rot yes dist gaussian
fix NVT all nvt temp $T $T 10 drag 0.2
run 1000
#=====================flux calculation========================
reset_timestep 0
compute myKE all ke/atom
compute myPE all pe/atom
compute myStress all stress/atom virial
compute flux all heat/flux myKE myPE myStress
variable Jx equal c_flux[1]/vol
variable Jy equal c_flux[2]/vol
variable Jz equal c_flux[3]/vol
#fix JJ all ave/correlate $s $p $d & c_flux[1] c_flux[2] c_flux[3] type auto file J0Jt
fix JJ all ave/correlate $s $p $d c_flux[1] c_flux[2] c_flux[3] type auto file J0J.correlate
print "Wrong sentence here: Code 02"
##variable scale equal ${kCal2J}*${kCal2J}/${kB}/$T/$T/$V*$s*${dt}*1.0e25
variable scale equal "(${kCal2J}^2*$s*${dt}*1.0e25)/(${kB}*$T^2*$V)"
print "Wrong sentence here: Code 01"
variable k11 equal trap(f_JJ[4])*v_scale
print "Wrong sentence here: Code 04"
variable k22 equal trap(f_JJ[5])*v_scale
print "Wrong sentence here: Code 05"
variable k33 equal trap(f_JJ[2])*v_scale
print "Wrong sentence here: Code 03"
thermo_style custom step temp v_Jx v_Jy v_Jz #v_k11 v_k22 v_k33
print "Wrong sentence here: Code 06"
variable k equal (v_k11v_k22v_k33)/3.0
print "Wrong sentence here: Code 06"
print"average conductivity:$k [W/mK]"
run 10000
======================================================
报错信息:
Wrong sentence here: Code 02
Wrong sentence here: Code 01
Wrong sentence here: Code 04
Wrong sentence here: Code 05
Wrong sentence here: Code 03
Wrong sentence here: Code 06
Wrong sentence here: Code 06
ERROR: Invalid syntax in variable formula
好像是最后一句错误,但是错在哪里呢? 郁闷!
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计算机符号fix,请问命令行中的&符号是什么意思!
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