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26 lines
456 B
Text
26 lines
456 B
Text
# If this was a restart directive with only the python data and task,
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# an old database could be edited.
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#
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# As an example, here, we populate a new database with some
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# geometry and basis information
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#
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# Make sure that the directory containing Xrtdb.py is in your PYTHONPATH
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start
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basis noprint
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c library 3-21g
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o library 3-21g
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end
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geometry noprint autosym
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c 0 0 0
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o 1 0 0
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end
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python noprint
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from Xrtdb import *
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Xrtdb()
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end
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task python
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