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Merge pull request #3869 from jmgoff/compute-pace-update

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Compute pace update
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Axel Kohlmeyer
2023-12-12 16:19:41 -05:00
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parent 30051ec260 17ffd5c228
commit c33d950ac3
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doc/src/compute.rst
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@ -264,6 +264,7 @@ The individual style names on the :doc:`Commands compute <Commands_compute>` pag
* :doc:`nbond/atom <compute_nbond_atom>` - calculates number of bonds per atom
* :doc:`omega/chunk <compute_omega_chunk>` - angular velocity for each chunk
* :doc:`orientorder/atom <compute_orientorder_atom>` - Steinhardt bond orientational order parameters Ql
* :doc:`pace <compute_pace>` - atomic cluster expansion descriptors and related quantities
* :doc:`pair <compute_pair>` - values computed by a pair style
* :doc:`pair/local <compute_pair_local>` - distance/energy/force of each pairwise interaction
* :doc:`pe <compute_pe>` - potential energy