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34.1.9 Numerical gradients
Up:
34.1 The gradient program
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34.1.7 Difference gradients for
34.1.8 Example
Input:
h2o_forces.com
Output:
h2o_forces.out
P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002