Gromacs
2025-dev-20240508-5d2129b
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Declares and defines pairlist interaction mask generation functions.
Functions | |
template<typename T , int iClusterSize, int jClusterSize> | |
constexpr std::array< T, iClusterSize/jClusterSize > | Nbnxm::diagonalMaskJSmallerI () |
Returns a diagonal interaction mask with atoms j<i masked out. More... | |
template<typename T , int iClusterSize, int jClusterSize> | |
constexpr std::array< T, jClusterSize/iClusterSize > | Nbnxm::diagonalMaskJLargerI () |
Returns a diagonal interaction mask with atoms j>i masked out. More... | |
template<int iClusterSize, int jClusterSize> | |
static gmx_unused uint32_t | Nbnxm::getImask (const bool maskOutSubDiagonal, const int ci, const int cj) |
Returns a diagonal or off-diagonal interaction mask. More... | |