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Gromacs
2026.0-dev-20251105-11eb1db
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#include <gromacs/nbnxm/pairlist.h>
Simple j-cluster list.
Public Member Functions | |
| int | cj (int index) const |
Return the j-cluster index for index from the pack list. | |
| const unsigned int & | excl (int index) const |
Return the exclusion mask for index. | |
| unsigned int & | excl (int index) |
Return the exclusion mask for index. | |
| Index | size () const noexcept |
| Return the size of the list (not the number of packed elements) | |
| bool | empty () const noexcept |
| Return whether the list is empty. | |
| void | resize (Index count) |
| Resize the list. | |
| void | push_back (const decltype(list_)::value_type &value) |
| Add a new element to the list. | |
Public Attributes | |
| FastVector< nbnxn_cj_t > | list_ |
| The list of packed j-cluster groups. | |
1.8.5