Gromacs
2025.0-dev-20241009-5c23d5f
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Struct with references for most parameters for calling calcVerletBufferSize()
Public Attributes | |
const gmx_mtop_t & | mtop |
const real | effectiveAtomDensity |
const t_inputrec & | inputrec |
const real | pressureTolerance |
const VerletbufListSetup & | listSetup |
const bool | useGpuList |
const int | mtsFactor |