Gromacs
2022.2
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#include <gromacs/domdec/domdec_specatomcomm.h>
Struct with setup and buffers for special atom communication.
Public Attributes | |
int | nreq [DIM][2][2] = { { { 0 } } } |
The nr. More... | |
gmx_specatsend_t | spas [DIM][2] |
The communication setup per DIM, direction. | |
std::vector< bool > | sendAtom |
Work buffer that tells if spec.atoms should be sent. | |
std::vector< int > | ibuf |
Integer send buffer. | |
std::vector< gmx::RVec > | vbuf |
rvec send buffer | |
std::vector< gmx::RVec > | vbuf2 |
rvec send buffer | |
int | at_start |
Start index of received atoms. | |
int | at_end |
End index of received atoms. | |
int gmx_domdec_specat_comm_t::nreq[DIM][2][2] = { { { 0 } } } |
The nr.
of atoms requested, per DIM, direction and direct/indirect