Unverified Commit 77789f9e authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

small tweaks

parent 7b6d07a8
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+14 −8
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@@ -185,14 +185,19 @@ The default setting of "smallbig" is almost always adequate.

   .. tab:: CMake build

      With CMake the choice of integer types is made via setting a
      variable during configuration.

      .. code-block:: bash

         -D LAMMPS_SIZES=value   # smallbig (default) or bigbig or smallsmall

      If the variable is not set explicitly, "smallbig" is used.

   .. tab:: Traditional build

      If you want a setting different from the default, you need to edit your
      machine Makefile.
      If you want a setting different from the default, you need to edit the
      ``LMP_INC`` variable setting your machine Makefile.

      .. code-block:: make

@@ -218,7 +223,7 @@ The "bigbig" setting increases the latter two limits. It allows for:
* image flags = roll over at about 1 million (2\^20)

The "smallsmall" setting is only needed if your machine does not
support 8-byte integers.  It allows for:
support 64-bit integers.  It allows for:

* total atom count = 2\^31 atoms (about 2 billion)
* total timesteps = 2\^31 (about 2 billion)
@@ -234,8 +239,9 @@ more than 2 billion atoms, you need the "bigbig" setting.

Regardless of the total system size limits, the maximum number of atoms
per MPI rank (local + ghost atoms) is limited to 2 billion for atomic
systems and 500 million for systems with bonds (due to using the 2
upper bits of the local atom index for storing special bonds labels).
systems and 500 million for systems with bonds (the additional
restriction is due to using the 2 upper bits of the local atom index
in neighbor lists for storing special bonds info).

Image flags store 3 values per atom in a single integer which count the
number of times an atom has moved through the periodic box in each
+1 −1
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def replace_tabs_handler(app, docname, source):
    """ When builder is not 'html', remove 'tabs' directive
    and replace 'tab' directive with 'admonition'"""
    and replace any 'tab' directive with 'admonition'"""
    if app.builder.name != 'html':
        for i in range(len(source)):
            str = source[i].replace('.. tabs::','')