Lines from command file arn2_test.com | Comments and explanation
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inp=arn2_test.inp | Read in input file
Arn2_test.inp
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out=arn2_test.out | Redefine main output file to be Arn2_test.out
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prxsec=t | Integral cross sections to be printed to main output file
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show | Show current variables. Go to see these
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label=CS Integral and Partial Tests | Define a label for this calculation
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run | run the linked hibridon code
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csflag=t | The prior calculations were full close-coupling (CSFLAG = . FALSE.). Change this
flag to .TRUE. to enable coupled-states calculations
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numax=4 | set the maximum value of the coupled-states projection index
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jmax=10 | reset the maximum N2 rotational quantum number
used in the channel basis
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run | re-run the linked hibridon code with the new parameters
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noprin=t | disable all but the most essential output
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prt2=f | enable printing of the squares of the T matrix to the main
output file
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prlogd=f | enable printing of the log-derivative matrix and K matrix
to the main output file
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prxsec=f | disable printing of the integral cross sections
to the main output file
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prsmat=f | disable printing of the S matrix to the main output file
to the main output file
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jtot1=0 | reset the minimum total angular momentum Jtot
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csflag=f | enable full close-coupled calculations
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label=CC Integral and Partial Tests | reset the label of this calculation
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job=cctest | set the Jobname to Cctest
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wrxsec=t | enable printing of the integral cross sections to the file
Cctest{n}.ics
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wrpart=t | enable printing of the partial cross sections to the file
Cctest{n}.ics
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show | print the changed set of variables to stdout and the main output file
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run | run the linked Hibridon code with the new variables
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printc | print out the subset of integral cross sections specified by
the variables jout and indout
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partc | print out the subset of partial cross sections specified by
the variables jout and indout
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csflag=t | enable coupled states calculations
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numin=0 | set the minimum value of the CS projection index
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numax=4 | set the maximum value of the CS projection index. This has already been set to
10 above, so this command is redundant.
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jmax=10 | maximum N2 rotational quantum number
used in the channel basis. This has already been set to
10 above, so this command is redundant.
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job=cstest | redefine the Jobname to Cstest
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run | run the linked Hibridon code with the new parameters
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printc | as 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
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partc | as 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 | | |