Gromacs
2025.0-dev-20241009-5c23d5f
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#include <gromacs/nbnxm/pairlist.h>
Packed j-cluster list.
Four j-cluster indices are stored per integer in an nbnxn_cj_packed_t.
Public Member Functions | |
PackedJClusterList (const PinningPolicy pinningPolicy) | |
int | cj (const int index) const |
Return the j-cluster index for index from the pack list. | |
unsigned int | imask0 (const int index) const |
Return the i-cluster interaction mask for the first cluster in 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 packed list. | |
void | push_back (const decltype(list_)::value_type &value) |
Add a new element to the packed list. | |