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See cclib/cclib@af291f5 from refs/heads/master
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_sources/attributes_dev.rst.txt

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`frags`_ indices of atoms in a fragment list of lists
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`gbasis`_ coefficients and exponents of Gaussian basis functions PyQuante format
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`geotargets`_ targets for convergence of geometry optimization array of rank 1
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`geovalues`_ current values for convergence of geometry optmization array of rank 1
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`geovalues`_ current values for convergence of geometry optimization array of rank 1
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`grads`_ current values of forces (gradients) in geometry optimization array of rank 3
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`hessian`_ elements of the force constant matrix array of rank 1
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`homos`_ molecular orbital indices of HOMO(s) array of rank 1

attributes_dev.html

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<td><p>array of rank 1</p></td>
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</tr>
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<tr class="row-odd"><td><p><a class="reference external" href="data_notes.html#geovalues">geovalues</a></p></td>
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<td><p>current values for convergence of geometry optmization</p></td>
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<td><p>current values for convergence of geometry optimization</p></td>
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<td></td>
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<td><p>array of rank 1</p></td>
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</tr>

data_dev.html

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<td><p>array of rank 1</p></td>
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</tr>
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<tr class="row-odd"><td><p><a class="reference external" href="data_notes.html#geovalues">geovalues</a></p></td>
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<td><p>current values for convergence of geometry optmization</p></td>
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<td><p>current values for convergence of geometry optimization</p></td>
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<td></td>
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<td><p>array of rank 1</p></td>
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</tr>

searchindex.js

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