Gromacs
2026.0-dev-20250418-2a07af2
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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 > | gmx::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 > | gmx::diagonalMaskJLargerI () |
Returns a diagonal interaction mask with atoms j>i masked out. More... | |
template<int iClusterSize, int jClusterSize> | |
static gmx_unused uint32_t | gmx::getImask (const bool maskOutSubDiagonal, const int ci, const int cj) |
Returns a diagonal or off-diagonal interaction mask. More... | |