more edits

doc/src/fix_mdi_aimd.rst

@@ -13,16 +13,16 @@ Syntax
 * ID, group-ID are documented in :doc:`fix <fix>` command
 * mdi/qm = style name of this fix command
 * zero or more keyword/value pairs may be appended
-* keyword = *plugin* or *add* of *every*
+* keyword = *plugin* or *every* or *add*
 
   .. parsed-literal::
 
-       *plugin* args = none
+       *plugin* args = none 
+       *every* args = Nevery
+         Nevery = request values from server code once every Nevery steps
        *add* args = *yes* or *no*
          yes = add returned value from server code to LAMMPS quantities
          no = do not add returned values to LAMMPS quantities
-       *every* args = Nevery
-         Nevery = request values from server code once every Nevery steps
 
 Examples
 """"""""
@@ -37,7 +37,8 @@ Description
 
 This command enables LAMMPS to act as a client with another server
 code that will compute the total energy, per-atom forces, and total
-virial for conformations and box size/shape that LAMMPS sends it.
+virial for atom conformations and simulation box size/shapes that
+LAMMPS sends it.
 
 Typically the server code will be a quantum code, hence the name of
 the fix.  However this is not required, the server code could be
@@ -52,7 +53,7 @@ below):
 * perform an ab intitio MD (AIMD) simulation with quantum forces
 * perform an energy minimziation with quantum forces
 * perform a nudged elatic band (NEB) calculation with quantum forces
-* LAMMPS reads or creates a series of configurations and requests a QM calculation for each one
+* requests a QM calculation for a series of independent systems which LAMMPS reads or generates
 
 The code coupling performed by this command is done via the `MDI
 Library <https://molssi-mdi.github.io/MDI_Library/html/index.html>`_.
@@ -62,23 +63,23 @@ support for MDI.  See the :doc:`Howto mdi <Howto_mdi>` page for more
 information about how LAMMPS can operate as either an MDI driver or
 engine.
 
-The examples/mdi directory contains input scripts performing AIMD in
-this manner with LAMMPS acting as both a driver and an engine
+The examples/mdi directory contains input scripts using this fix, with
+two instances of LAMMPS acting as both a driver and an engine
 (surrogate for a QM code).  The examples/mdi/README file explains how
-to launch both driver and engine codes so that they communicate using
+to launch two driver and engine codes so that they communicate using
 the MDI library via either MPI or sockets.  Any QM code that supports
 MDI could be used in place of LAMMPS acting as a QM surrogate.  See
 the :doc:`Howto mdi <Howto_mdi>` page for a current list (March 2022)
 of such QM codes.
 
-Engine codes can support MDI in either or both of two ways.  The
-engine code can support being used as a stand-alone code, launched at
-the same time as LAMMPS.  Or the engine code can support being used as
-a plugin library, which LAMMPS loads.  See the :doc:`mdi plugin <mdi>`
-command for how to trigger LAMMPS to load the plugin library.  The
-examples/mdi/README file explains both use cases: launching both the
-driver and engine as stand-alone codes or having the driver code load
-an engine as a plugin library.
+Engine codes can support MDI in either or both of two ways.  It can
+support being used as a stand-alone code, launched at the same time as
+LAMMPS.  Or it can support being used as a plugin library, which
+LAMMPS loads.  See the :doc:`mdi plugin <mdi>` command for how to
+trigger LAMMPS to load the plugin library.  The examples/mdi/README
+file explains both use cases: launching both the driver and engine as
+stand-alone codes or having the driver code load an engine as a plugin
+library.
 
 ----------
 
@@ -87,10 +88,6 @@ an engine as a plugin library.
 To use this fix with a plugin engine, you must specify the
 *plugin* keyword as the last argument, as illustrated above.
 
-.. note::
-
-   As of April 2022, the *plugin* keyword is needed.  In a future
-   version of the MDI library it will no longer be necessary.
 
 ----------