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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. for more info.
Unlike other angle styles, the hybrid angle style does not store angle 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 coefficient info for individual sub-styles in :doc:`binary restart files
file, you need to re-specify :doc:`angle_coeff <angle_coeff>` commands. <restart>` or :doc:`data files <write_data>`. Thus when restarting a
simulation, you need to re-specify the angle_coeff commands.
Related 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. info.
Unlike other bond styles, the hybrid bond style does not store bond 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 coefficient info for individual sub-styles in :doc:`binary restart files
file, you need to re-specify bond_coeff commands. <restart>` or :doc:`data files <write_data>`. Thus when restarting a
simulation, you need to re-specify the bond_coeff commands.
Related 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. for more info.
Unlike other dihedral styles, the hybrid dihedral style does not store 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 dihedral coefficient info for individual sub-styles in :doc:`binary
restart file, you need to re-specify dihedral_coeff commands. 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 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. for more info.
Unlike other improper styles, the hybrid improper style does not store 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>`. improper coefficient info for individual sub-styles in :doc:`binary
Thus when restarting a simulation from a restart files <restart>` or :doc:`data files <write_data>`. Thus when
restart file, you need to re-specify improper_coeff commands. restarting a simulation, you need to re-specify the improper_coeff
commands.
Related 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 settings are written to :doc:`binary restart files <restart>`, so a
:doc:`pair_style <pair_style>` command does not need to specified in an :doc:`pair_style <pair_style>` command does not need to specified in an
input script that reads a restart file. However, the coefficient input script that reads a restart file. However, the coefficient
information is not stored in the restart file. Thus, pair_coeff information is not stored in the restart file. The same is true for
commands need to be re-specified in the restart input script. For pair :doc:`data files <write_data>`. Thus, pair_coeff commands need to be
style *hybrid/scaled* also the names of any variables used as scale re-specified in the restart input script. For pair style
factors are restored, but not the variables themselves, so those may *hybrid/scaled* also the names of any variables used as scale factors
need to be redefined when continuing from a restart. 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 These pair styles support the use of the *inner*, *middle*, and
*outer* keywords of the :doc:`run_style respa <run_style>` command, if *outer* keywords of the :doc:`run_style respa <run_style>` command, if