Lines from command file arn2_test.comComments and explanation
inp=arn2_test.inp Read in input file Arn2_test.inp
out=arn2_test.out Redefine main output file to be Arn2_test.out
prxsec=t Integral cross sections to be printed to main output file
show Show current variables. Go to see these
label=CS Integral and Partial Tests Define a label for this calculation
runrun the linked hibridon code
csflag=tThe prior calculations were full close-coupling (CSFLAG = . FALSE.). Change this flag to .TRUE. to enable coupled-states calculations
numax=4set the maximum value of the coupled-states projection index
jmax=10reset the maximum N2 rotational quantum number used in the channel basis
runre-run the linked hibridon code with the new parameters
noprin=tdisable all but the most essential output
prt2=fenable printing of the squares of the T matrix to the main output file
prlogd=fenable printing of the log-derivative matrix and K matrix to the main output file
prxsec=fdisable printing of the integral cross sections to the main output file
prsmat=fdisable printing of the S matrix to the main output file to the main output file
jtot1=0reset the minimum total angular momentum Jtot
csflag=fenable full close-coupled calculations
label=CC Integral and Partial Testsreset the label of this calculation
job=cctestset the Jobname to Cctest
wrxsec=tenable printing of the integral cross sections to the file Cctest{n}.ics
wrpart=tenable printing of the partial cross sections to the file Cctest{n}.ics
showprint the changed set of variables to stdout and the main output file
runrun the linked Hibridon code with the new variables
printcprint out the subset of integral cross sections specified by the variables jout and indout
partcprint out the subset of partial cross sections specified by the variables jout and indout
csflag=tenable coupled states calculations
numin=0set the minimum value of the CS projection index
numax=4set the maximum value of the CS projection index. This has already been set to 10 above, so this command is redundant.
jmax=10maximum N2 rotational quantum number used in the channel basis. This has already been set to 10 above, so this command is redundant.
job=cstestredefine the Jobname to Cstest
runrun the linked Hibridon code with the new parameters
printcas before, print out a subset of the integral cross sections, specified by the variable arrays jout and indout, but this time for the CS calculations just carried out
partcas before, print out a subset of the partial cross sections, specified by the variable arrays jout and indout, but this time for the CS calculations just carried out
inp=arn2_dxsec.inp Read in input file Arn2_dxsec.inp
show
job=ccdxsec
label=Differential and Tensor Xsec Tests
run
difcrs,ccdxsec,0,0,2,0,0,10,1,1,20
difcrs,ccdxsec,2,0,2,0,0,10,1,1,20
tenxsc,,2,0,0,1,20,0,2
inp=arn2.fluxinp
job=cc
run
inp=arn2.fluxinp
show
label=Flux and Wavefuntion Tests
run
flux,,1
flux,,-1
flux,,2
flux,,-2
airyfl=f
rendld=12
run
psi
exit