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add compute dipole/tip4p and compute dipole/tip4p/chunk

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Axel Kohlmeyer
2023-03-09 19:04:28 -05:00
parent 416df96c1b
commit 02854c1d5c
9 changed files with 764 additions and 29 deletions
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doc/src/compute.rst
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@ -206,6 +206,8 @@ The individual style names on the :doc:`Commands compute <Commands_compute>` pag
* :doc:`dilatation/atom <compute_dilatation_atom>` - Peridynamic dilatation for each atom
* :doc:`dipole <compute_dipole>` - dipole vector and total dipole
* :doc:`dipole/chunk <compute_dipole_chunk>` - dipole vector and total dipole for each chunk
* :doc:`dipole/tip4p <compute_dipole>` - dipole vector and total dipole with TIP4P pair style
* :doc:`dipole/tip4p/chunk <compute_dipole_chunk>` - dipole vector and total dipole for each chunk with TIP4P pair style
* :doc:`displace/atom <compute_displace_atom>` - displacement of each atom
* :doc:`dpd <compute_dpd>` - total values of internal conductive energy, internal mechanical energy, chemical energy, and harmonic average of internal temperature
* :doc:`dpd/atom <compute_dpd_atom>` - per-particle values of internal conductive energy, internal mechanical energy, chemical energy, and internal temperature