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Update documentation for compute stress/mop/profile

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This commit is contained in:
Evangelos Voyiatzis
2023-06-02 19:44:37 +03:00
committed by GitHub
parent e7ae02dd2a
commit c30762ca8b
1 changed files with 3 additions and 3 deletions
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doc/src/compute_stress_mop.rst
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@ -68,7 +68,7 @@ Between one and six keywords can be used to indicate which
contributions to the stress must be computed: total stress (total), kinetic stress (kin),
configurational stress (conf), stress due to bond stretching (bond),
stress due to angle bending (angle) and/or due to pairwise non-bonded interactions (pair).
The last three keywords are currently available only for the stress/mop command and not the stress/mop/profile.
The angle keyword is currently available only for the stress/mop command and not the stress/mop/profile.
NOTE 1: The configurational stress is computed considering all pairs of atoms where at least one atom belongs to group group-ID.
@ -120,8 +120,8 @@ 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. In
particular, compute *stress/mop/profile* does not work with more than
two-body pair interactions, intra-molecular interactions, and long range
(kspace) interactions. Similarly, compute *stress/mop* does not work with more than
two-body pair interactions, long range (kspace) interactions and angle/dihedral/improper
intramolecular interactions. Similarly, compute *stress/mop* does not work with more than
two-body pair interactions, long range (kspace) interactions and dihedral/improper
intramolecular interactions but works with all bond interactions with the class method
single() implemented and all angle interactions with the class method born_matrix()