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clarify that hybrid styles also do not write coeff data to data files

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This commit is contained in:
Axel Kohlmeyer
2024-07-30 08:59:51 -04:00
parent 208216ba3d
commit bd2e071ef0
5 changed files with 20 additions and 14 deletions
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5
doc/src/angle_hybrid.rst
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@ -94,8 +94,9 @@ MOLECULE package. See the :doc:`Build package <Build_package>` doc page
for more info.
Unlike other angle styles, the hybrid angle style does not store angle
coefficient info for individual sub-styles in a :doc:`binary restart files <restart>`. Thus when restarting a simulation from a restart
file, you need to re-specify :doc:`angle_coeff <angle_coeff>` commands.
coefficient info for individual sub-styles in :doc:`binary restart files
<restart>` or :doc:`data files <write_data>`. Thus when restarting a
simulation, you need to re-specify the angle_coeff commands.
Related commands
""""""""""""""""

5
doc/src/bond_hybrid.rst
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@ -75,8 +75,9 @@ package. See the :doc:`Build package <Build_package>` page for more
info.
Unlike other bond styles, the hybrid bond style does not store bond
coefficient info for individual sub-styles in a :doc:`binary restart files <restart>`. Thus when restarting a simulation from a restart
file, you need to re-specify bond_coeff commands.
coefficient info for individual sub-styles in :doc:`binary restart files
<restart>` or :doc:`data files <write_data>`. Thus when restarting a
simulation, you need to re-specify the bond_coeff commands.
Related commands
""""""""""""""""

6
doc/src/dihedral_hybrid.rst
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@ -95,8 +95,10 @@ MOLECULE package. See the :doc:`Build package <Build_package>` doc page
for more info.
Unlike other dihedral styles, the hybrid dihedral style does not store
dihedral coefficient info for individual sub-styles in a :doc:`binary restart files <restart>`. Thus when restarting a simulation from a
restart file, you need to re-specify dihedral_coeff commands.
dihedral coefficient info for individual sub-styles in :doc:`binary
restart files <restart>` or :doc:`data files <write_data>`. Thus when
restarting a simulation, you need to re-specify the dihedral_coeff
commands.
Related commands
""""""""""""""""

7
doc/src/improper_hybrid.rst
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@ -94,9 +94,10 @@ MOLECULE package. See the :doc:`Build package <Build_package>` doc page
for more info.
Unlike other improper styles, the hybrid improper style does not store
improper coefficient info for individual sub-styles in a :doc:`binary restart files <restart>`.
Thus when restarting a simulation from a
restart file, you need to re-specify improper_coeff commands.
improper coefficient info for individual sub-styles in :doc:`binary
restart files <restart>` or :doc:`data files <write_data>`. Thus when
restarting a simulation, you need to re-specify the improper_coeff
commands.
Related commands
""""""""""""""""

11
doc/src/pair_hybrid.rst
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@ -479,11 +479,12 @@ For the hybrid pair styles, the list of sub-styles and their respective
settings are written to :doc:`binary restart files <restart>`, so a
:doc:`pair_style <pair_style>` command does not need to specified in an
input script that reads a restart file. However, the coefficient
information is not stored in the restart file. Thus, pair_coeff
commands need to be re-specified in the restart input script. For pair
style *hybrid/scaled* also the names of any variables used as scale
factors are restored, but not the variables themselves, so those may
need to be redefined when continuing from a restart.
information is not stored in the restart file. The same is true for
:doc:`data files <write_data>`. Thus, pair_coeff commands need to be
re-specified in the restart input script. For pair style
*hybrid/scaled* also the names of any variables used as scale factors
are restored, but not the variables themselves, so those may need to be
redefined when continuing from a restart.
These pair styles support the use of the *inner*, *middle*, and
*outer* keywords of the :doc:`run_style respa <run_style>` command, if