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add clarifications

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This commit is contained in:
Axel Kohlmeyer
2024-02-16 14:31:35 -05:00
parent 072b0374e7
commit e5bb507d3d
3 changed files with 9 additions and 4 deletions
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3
doc/src/compute_pressure.rst
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@ -153,7 +153,8 @@ Related commands
Default
"""""""
none
By default the compute includes contributions from the keywords:
``ke pair bond angle dihedral improper kspace fix``
----------

3
doc/src/compute_stress_atom.rst
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@ -289,7 +289,8 @@ Related commands
Default
"""""""
none
By default the compute includes contributions from the keywords:
``ke pair bond angle dihedral improper kspace fix``
----------

7
doc/src/compute_stress_mop.rst
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@ -132,10 +132,13 @@ size does not change in time, and axis-aligned planes.
The method only works with two-body pair interactions, because it
requires the class method ``Pair::single()`` to be implemented, which is
not possible for manybody potentials. In particular, compute
*stress/mop/profile* and *stress/mop* do not work with more than two-body pair
interactions, long range (kspace) interactions and
*stress/mop/profile* and *stress/mop* do not work with more than two-body
pair interactions, long range (kspace) interactions and
improper intramolecular interactions.
The impact of fixes that affect the stress (e.g. fix langevin) is
also not included in the stress computed here.
Related commands
""""""""""""""""