diff --git a/doc/src/Developer_updating.rst b/doc/src/Developer_updating.rst index 36c6974b30..cd61eaa5a1 100644 --- a/doc/src/Developer_updating.rst +++ b/doc/src/Developer_updating.rst @@ -20,6 +20,7 @@ Available topics in mostly chronological order are: - `Use ev_init() to initialize variables derived from eflag and vflag`_ - `Use utils::numeric() functions instead of force->numeric()`_ - `Use utils::open_potential() function to open potential files`_ +- `Use symbolic Atom and AtomVec constants instead of numerical values`_ - `Simplify customized error messages`_ - `Use of "override" instead of "virtual"`_ - `Simplified and more compact neighbor list requests`_ @@ -196,6 +197,71 @@ New: fp = utils::open_potential(filename, lmp); +Use symbolic Atom and AtomVec constants instead of numerical values +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +.. versionchanged:: 18Sep2020 + +Properties in LAMMPS that were represented by integer values (0, 1, +2, 3) to indicate settings in the ``Atom`` and ``AtomVec`` classes (or +classes derived from it) (and its derived classes) have been converted +to use scoped enumerators instead. + +.. list-table:: + :header-rows: 1 + :widths: auto + + * - Symbolic Constant + - Value + - Symbolic Constant + - Value + * - Atom::GROW + - 0 + - Atom::MAP_NONE + - 0 + * - Atom::RESTART + - 1 + - Atom::MAP_ARRAY + - 1 + * - Atom::BORDER + - 2 + - Atom::MAP_HASH + - 2 + * - Atom::ATOMIC + - 0 + - Atom::MAP_YES + - 3 + * - Atom::MOLECULAR + - 1 + - AtomVec::PER_ATOM + - 0 + * - Atom::TEMPLATE + - 2 + - AtomVec::PER_TYPE + - 1 + +Old: + +.. code-block:: c++ + + molecular = 0; + mass_type = 1; + if (atom->molecular == 2) + if (atom->map_style == 2) + atom->add_callback(0); + atom->delete_callback(id,1); + +New: + +.. code-block:: c++ + + molecular = Atom::ATOMIC; + mass_type = AtomVec::PER_TYPE; + if (atom->molecular == Atom::TEMPLATE) + if (atom->map_style == Atom::MAP_HASH) + atom->add_callback(Atom::GROW); + atom->delete_callback(id,Atom::RESTART); + Simplify customized error messages ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt index 03e67b95cb..55ac81e04b 100644 --- a/doc/utils/sphinx-config/false_positives.txt +++ b/doc/utils/sphinx-config/false_positives.txt @@ -151,6 +151,7 @@ asphericity Asq assignee assively +associativity Asta Astart Astop