move group2ndx and ndx2group to new EXTRA-COMMAND package. update docs.
This commit is contained in:
@ -256,6 +256,7 @@ set(STANDARD_PACKAGES
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DRUDE
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DRUDE
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EFF
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EFF
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ELECTRODE
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ELECTRODE
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EXTRA-COMMAND
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EXTRA-COMPUTE
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EXTRA-COMPUTE
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EXTRA-DUMP
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EXTRA-DUMP
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EXTRA-FIX
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EXTRA-FIX
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@ -28,6 +28,7 @@ set(ALL_PACKAGES
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DRUDE
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DRUDE
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ELECTRODE
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ELECTRODE
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EFF
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EFF
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EXTRA-COMMAND
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EXTRA-COMPUTE
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EXTRA-COMPUTE
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EXTRA-DUMP
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EXTRA-DUMP
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EXTRA-FIX
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EXTRA-FIX
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@ -30,6 +30,7 @@ set(ALL_PACKAGES
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DRUDE
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DRUDE
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ELECTRODE
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ELECTRODE
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EFF
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EFF
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EXTRA-COMMAND
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EXTRA-COMPUTE
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EXTRA-COMPUTE
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EXTRA-DUMP
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EXTRA-DUMP
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EXTRA-FIX
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EXTRA-FIX
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@ -24,6 +24,7 @@ set(WIN_PACKAGES
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DRUDE
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DRUDE
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ELECTRODE
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ELECTRODE
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EFF
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EFF
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EXTRA-COMMAND
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EXTRA-COMPUTE
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EXTRA-COMPUTE
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EXTRA-DUMP
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EXTRA-DUMP
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EXTRA-FIX
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EXTRA-FIX
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@ -26,6 +26,7 @@ set(ALL_PACKAGES
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DRUDE
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DRUDE
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EFF
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EFF
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ELECTRODE
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ELECTRODE
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EXTRA-COMMAND
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EXTRA-COMPUTE
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EXTRA-COMPUTE
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EXTRA-DUMP
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EXTRA-DUMP
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EXTRA-FIX
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EXTRA-FIX
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@ -22,6 +22,7 @@ set(WIN_PACKAGES
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DRUDE
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DRUDE
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EFF
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EFF
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ELECTRODE
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ELECTRODE
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EXTRA-COMMAND
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EXTRA-COMPUTE
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EXTRA-COMPUTE
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EXTRA-DUMP
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EXTRA-DUMP
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EXTRA-FIX
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EXTRA-FIX
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@ -52,6 +52,7 @@ page gives those details.
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* :ref:`DRUDE <PKG-DRUDE>`
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* :ref:`DRUDE <PKG-DRUDE>`
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* :ref:`EFF <PKG-EFF>`
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* :ref:`EFF <PKG-EFF>`
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* :ref:`ELECTRODE <PKG-ELECTRODE>`
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* :ref:`ELECTRODE <PKG-ELECTRODE>`
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* :ref:`EXTRA-COMMAND <PKG-EXTRA-COMMAND>`
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* :ref:`EXTRA-COMPUTE <PKG-EXTRA-COMPUTE>`
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* :ref:`EXTRA-COMPUTE <PKG-EXTRA-COMPUTE>`
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* :ref:`EXTRA-DUMP <PKG-EXTRA-DUMP>`
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* :ref:`EXTRA-DUMP <PKG-EXTRA-DUMP>`
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* :ref:`EXTRA-FIX <PKG-EXTRA-FIX>`
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* :ref:`EXTRA-FIX <PKG-EXTRA-FIX>`
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@ -886,6 +887,22 @@ This package has :ref:`specific installation instructions <electrode>` on the
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----------
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----------
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.. _PKG-EXTRA-COMMAND:
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EXTRA-COMMAND package
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---------------------
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**Contents:**
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Additional compute styles that are less commonly used.
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**Supporting info:**
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* src/EXTRA-COMMAND: filenames -> commands
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* :doc:`general commands <Commands_all>`
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----------
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.. _PKG-EXTRA-COMPUTE:
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.. _PKG-EXTRA-COMPUTE:
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EXTRA-COMPUTE package
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EXTRA-COMPUTE package
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@ -158,6 +158,11 @@ whether an extra library is needed to build and use the package:
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- :doc:`fix electrode/conp <fix_electrode>`
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- :doc:`fix electrode/conp <fix_electrode>`
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- PACKAGES/electrode
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- PACKAGES/electrode
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- no
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- no
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* - :ref:`EXTRA-COMMAND <PKG-EXTRA-COMMAND>`
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- additional command styles
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- :doc:`general commands <Commands_all>`
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- n/a
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- no
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* - :ref:`EXTRA-COMPUTE <PKG-EXTRA-COMPUTE>`
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* - :ref:`EXTRA-COMPUTE <PKG-EXTRA-COMPUTE>`
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- additional compute styles
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- additional compute styles
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- :doc:`compute <compute>`
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- :doc:`compute <compute>`
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@ -55,11 +55,12 @@ from the index file and restored.
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Restrictions
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Restrictions
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""""""""""""
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""""""""""""
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This command requires that atoms have atom IDs, since this is the
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These commands require that atoms have atom IDs, since this is the
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information that is written to the index file.
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information that is written to the index file.
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These commands are part of the COLVARS package. They are only
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These commands are part of the EXTRA-COMMAND package. They are only
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enabled if LAMMPS was built with that package. See the :doc:`Build package <Build_package>` page for more info.
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enabled if LAMMPS was built with that package. See the
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:doc:`Build package <Build_package>` page for more info.
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Related commands
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Related commands
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""""""""""""""""
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""""""""""""""""
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@ -74,6 +74,7 @@ PACKAGE = \
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dpd-smooth \
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dpd-smooth \
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drude \
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drude \
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eff \
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eff \
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extra-command \
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extra-compute \
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extra-compute \
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extra-dump \
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extra-dump \
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extra-fix \
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extra-fix \
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@ -167,6 +168,7 @@ PACKMOST = \
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dpd-smooth \
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dpd-smooth \
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drude \
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drude \
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eff \
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eff \
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extra-command \
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extra-compute \
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extra-compute \
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extra-dump \
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extra-dump \
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extra-fix \
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extra-fix \
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