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dox fixup

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evaleev committed Mar 1, 2020
1 parent 0b48881 commit 014832542a44eb838df14e2cd844bd3dded041fb
Showing with 4 additions and 1 deletion.
  1. +4 −1 include/libint2/basis.h.in
@@ -170,10 +170,13 @@ namespace libint2 {

/**
* @param[in] atoms \c std::vector of Atom objects
* @param[in] element_bases vector of shell sequences for each element; if @c throw_if_no_match is false,
* ok for @c element_bases[Z] to be nonempty or
* not exist (e.g. if @c element_bases.size()<=Z )
* @param[in] name the basis set name
* @param[in] throw_if_no_match If true, and the basis is not found for this atomic number, throw a std::logic_error.
* Otherwise omit the basis quietly.
* @throw std::logic_error if throw_if_no_match is true and for at least one atom no matching basis is found.
* @throw std::logic_error if throw_if_no_match is true and for at least one atom with no matching (or empty) basis is found.
* \note All instances of the same chemical element receive the same basis set.
*/
BasisSet(const std::vector<Atom>& atoms,

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