documented two overlooked functions; added NULL check to neighlist_element_neighbors
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@ -277,6 +277,8 @@ of the contents of the :f:mod:`LIBLAMMPS` Fortran interface to LAMMPS.
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:ftype extract_fix: function
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:f extract_variable: :f:func:`extract_variable`
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:ftype extract_variable: function
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:f set_variable: :f:subr:`set_variable`
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:ftype set_variable: subroutine
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:f gather_atoms: :f:subr:`gather_atoms`
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:ftype gather_atoms: subroutine
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:f gather_atoms_concat: :f:subr:`gather_atoms_concat`
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@ -309,6 +311,8 @@ of the contents of the :f:mod:`LIBLAMMPS` Fortran interface to LAMMPS.
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:ftype find_compute_neighlist: function
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:f neighlist_num_elements: :f:func:`neighlist_num_elements`
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:ftype neighlist_num_elements: function
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:f neighlist_element_neighbors: :f:subr:`neighlist_element_neighbors`
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:ftype neighlist_element_neighbors: subroutine
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:f version: :f:func:`version`
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:ftype version: function
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:f get_os_info: :f:subr:`get_os_info`
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@ -1257,6 +1261,22 @@ Procedures Bound to the :f:type:`lammps` Derived Type
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--------
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.. f:subroutine:: set_variable(name, str)
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Set the value of a string-style variable.
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.. versionadded:: 3Nov2022
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This function assigns a new value from the string *str* to the string-style
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variable *name*\ . If *name* does not exist or is not a string-style
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variable, an error is generated.
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:p character(len=*) name: name of the variable
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:p character(len=*) str: new value to assign to the variable
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:to: :cpp:func:`lammps_set_variable`
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--------
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.. f:subroutine:: gather_atoms(name, count, data)
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This function calls :cpp:func:`lammps_gather_atoms` to gather the named
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@ -1837,6 +1857,25 @@ Procedures Bound to the :f:type:`lammps` Derived Type
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:r inum: number of entries in neighbor list, or :math:`-1` if *idx* is not
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a valid index.
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:rtype inum: integer(c_int)
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:to: :cpp:func:`lammps_neighlist_num_elements`
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--------
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.. f:subroutine:: neighlist_element_neighbors(idx, element, iatom, neighbors)
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Return atom local index, number of neighbors, and array of neighbor local
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atom indices of a neighbor list entry.
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.. versionadded:: 3Nov2022
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:p integer(c_int) idx: index of this neighbor list in the list of all
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neighbor lists
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:p integer(c_int) element: index of this neighbor list entry
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:p integer(c_int) iatom: local atom index (i.e., in the range
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[1,nlocal+nghost]; -1 if invalid or element value
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:p integer(c_int) neighbors [dimension(:),pointer]: pointer to an array of
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neighboring atom local indices
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:to: :cpp:func:`lammps_neighlist_element_neighbors`
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--------
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