Gromacs
2025-dev-20240812-545ca5b
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This is the complete list of members for nbnxn_atomdata_t, including all inherited members.
bDynamicBox | nbnxn_atomdata_t | |
bufferFlags() | nbnxn_atomdata_t | inline |
clearForceBuffer(int outputIndex) | nbnxn_atomdata_t | |
FFormat | nbnxn_atomdata_t | |
fstride | nbnxn_atomdata_t | |
nbnxn_atomdata_t(gmx::PinningPolicy pinningPolicy) (defined in nbnxn_atomdata_t) | nbnxn_atomdata_t | |
nbnxn_atomdata_t(gmx::PinningPolicy pinningPolicy, const gmx::MDLogger &mdlog, Nbnxm::KernelType kernelType, const std::optional< LJCombinationRule > &ljCombinationRule, LJCombinationRule pmeLJCombinationRule, gmx::ArrayRef< const real > nbfp, bool addFillerAtomType, int numEnergyGroups, int numOutputBuffers) | nbnxn_atomdata_t | |
numAtoms() const | nbnxn_atomdata_t | inline |
numLocalAtoms() const | nbnxn_atomdata_t | inline |
outputBuffer(int thread) | nbnxn_atomdata_t | inline |
outputBuffer(int thread) const | nbnxn_atomdata_t | inline |
outputBuffers() const | nbnxn_atomdata_t | inline |
params() const | nbnxn_atomdata_t | inline |
paramsDeprecated() | nbnxn_atomdata_t | inline |
reduceForces(gmx::AtomLocality locality, const Nbnxm::GridSet &gridSet, rvec *totalForce) | nbnxn_atomdata_t | |
resizeCoordinateBuffer(int numAtoms, int domainDecompositionZone) | nbnxn_atomdata_t | |
resizeForceBuffers() | nbnxn_atomdata_t | |
shift_vec | nbnxn_atomdata_t | |
simdMasks() const | nbnxn_atomdata_t | inline |
useBufferFlags() const | nbnxn_atomdata_t | inline |
x() const | nbnxn_atomdata_t | inline |
x() | nbnxn_atomdata_t | inline |
XFormat | nbnxn_atomdata_t | |
xstride | nbnxn_atomdata_t | |
~nbnxn_atomdata_t() (defined in nbnxn_atomdata_t) | nbnxn_atomdata_t |