add note for porting code containing the removed Atoms::count_words() functions
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@ -18,6 +18,7 @@ Available topics in mostly chronological order are:
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- `Setting flags in the constructor`_
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- `Setting flags in the constructor`_
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- `Rename of pack/unpack_comm() to pack/unpack_forward_comm()`_
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- `Rename of pack/unpack_comm() to pack/unpack_forward_comm()`_
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- `Use ev_init() to initialize variables derived from eflag and vflag`_
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- `Use ev_init() to initialize variables derived from eflag and vflag`_
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- `Use utils::count_words() functions instead of atom->count_words()`_
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- `Use utils::numeric() functions instead of force->numeric()`_
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- `Use utils::numeric() functions instead of force->numeric()`_
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- `Use utils::open_potential() function to open potential files`_
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- `Use utils::open_potential() function to open potential files`_
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- `Use symbolic Atom and AtomVec constants instead of numerical values`_
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- `Use symbolic Atom and AtomVec constants instead of numerical values`_
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@ -130,6 +131,41 @@ Not applying this change will not cause a compilation error, but
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can lead to inconsistent behavior and incorrect tallying of
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can lead to inconsistent behavior and incorrect tallying of
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energy or virial.
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energy or virial.
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Use utils::count_words() functions instead of atom->count_words()
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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.. versionchanged:: 2Jun2020
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The "count_words()" functions for parsing text have been moved from the
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Atom class to the :doc:`utils namespace <Developer_utils>`. The
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"count_words()" function in "utils" uses the Tokenizer class internally
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to split a line into words and count them, thus it will not modify the
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argument string as the function in the Atoms class did and thus had a
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variant using a copy buffer. Unlike the old version, the new version
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does not remove comments. For that you can use the
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:cpp:func:`utils::trim_comment() function
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<LAMMPS_NS::utils::trim_comment>` as shown in the example below.
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Old:
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.. code-block:: c++
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nwords = atom->count_words(line);
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int nwords = atom->count_words(buf);
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New:
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.. code-block:: c++
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nwords = utils::count_words(line);
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int nwords = utils::count_words(utils::trim_comment(buf));
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.. seealso::
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:cpp:func:`utils::count_words() <LAMMPS_NS::utils::count_words>`,
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:cpp:func:`utils::trim_comments() <LAMMPS_NS::utils::trim_comments>`
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Use utils::numeric() functions instead of force->numeric()
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Use utils::numeric() functions instead of force->numeric()
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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@ -137,11 +173,12 @@ Use utils::numeric() functions instead of force->numeric()
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The "numeric()" conversion functions (including "inumeric()",
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The "numeric()" conversion functions (including "inumeric()",
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"bnumeric()", and "tnumeric()") have been moved from the Force class to
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"bnumeric()", and "tnumeric()") have been moved from the Force class to
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the utils namespace. Also they take an additional argument that selects
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the :doc:`utils namespace <Developer_utils>`. Also they take an
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whether the ``Error::all()`` or ``Error::one()`` function should be
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additional argument that selects whether the ``Error::all()`` or
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called in case of an error. The former should be used when *all* MPI
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``Error::one()`` function should be called in case of an error. The
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processes call the conversion function and the latter *must* be used
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former should be used when *all* MPI processes call the conversion
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when they are called from only one or a subset of the MPI processes.
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function and the latter *must* be used when they are called from only
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one or a subset of the MPI processes.
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Old:
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Old:
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