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Output

The amount of information printed is now largely under user control through the keywords GRADIENT, VECTORS, EFSTEPS, VALUES, SUMMARY, and DEBUG as described in §II. Some useful aliases to interrogate output files (note that the output is all appended to a file called output by the ncom script) are:


alias energy 'grep ''Energy for last'' output!30#30'
alias unscaled 'grep unscaled output!30#30'
alias RMS 'grep RMS output!30#30'
alias pgroup 'grep group output!30#30'
alias negative 'grep negative output!30#30'


David Wales
10/20/1999