Gromacs
2025.0-dev-20241009-5c23d5f
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Data structure to hold dipole-related data and staging arrays.
Public Attributes | |
DVec | muStaging [2] = { { 0.0, 0.0, 0.0 } } |
Dipole staging for fast summing over MPI. | |
RVec | muStateAB [2] = { { 0.0_real, 0.0_real, 0.0_real } } |
Dipole staging for states A and B (index 0 and 1 resp.) | |