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33.2 Geometry optimization
Up:
33.1 The gradient program
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33.1.7 Difference gradients for
33.1.8 Example
Input:
h2o_forces.com
Output:
h2o_forces.out
P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000