Public Member Functions |
| KernelBase () |
| Constructor.
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| ~KernelBase () |
| Destructor.
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void | setX0 (vect x0) |
| Set center of root cell.
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void | setR0 (real r0) |
| Set radius of root cell.
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vect | getX0 () const |
| Get center of root cell.
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real | getR0 () const |
| Get radius of root cell.
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void | setDomain (Bodies &bodies, vect x0=0, real r0=M_PI) |
| Set center and size of root cell.
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void | preCalculation () |
| Precalculate M2L translation matrix.
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void | postCalculation () |
| Free temporary allocations.
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void | setVanDerWaals (int atoms, double *rscale, double *gscale) |
| Set paramters for Van der Waals.
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void | setEwald (real ksize, real alpha, real sigma) |
| Set paramters for Ewald summation.
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Public Attributes |
real | NP2P |
| Number of P2P kernel calls.
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real | NM2P |
| Number of M2P kernel calls.
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real | NM2L |
| Number of M2L kernel calls.
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Protected Member Functions |
void | evalMultipole (real rho, real alpha, real beta, complex *Ynm, complex *YnmTheta) const |
| Evaluate solid harmonics .
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void | evalLocal (real rho, real alpha, real beta, complex *Ynm, complex *YnmTheta) const |
| Evaluate singular harmonics .
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Protected Attributes |
vect | X0 |
| Center of root cell.
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real | R0 |
| Radius of root cell.
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C_iter | Ci0 |
| icells.begin()
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C_iter | Cj0 |
| jcells.begin()
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int | ATOMS |
| Number of atom types in Van der Waals.
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std::vector< real > | RSCALE |
| Scaling parameter for Van der Waals.
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std::vector< real > | GSCALE |
| Scaling parameter for Van der Waals.
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real | KSIZE |
| Number of waves in Ewald summation.
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real | ALPHA |
| Scaling parameter for Ewald summation.
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real | SIGMA |
| Scaling parameter for Ewald summation.
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std::vector< int > | keysHost |
| Offsets for rangeHost.
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std::vector< int > | rangeHost |
| Offsets for sourceHost.
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std::vector< gpureal > | sourceHost |
| Sources on host.
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std::vector< gpureal > | targetHost |
| Targets on host.
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std::vector< gpureal > | constHost |
| Constants on host.
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Map | sourceBegin |
| Define map for offset of source cells.
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Map | sourceSize |
| Define map for size of source cells.
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Map | targetBegin |
| Define map for offset of target cells.
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size_t | keysDevcSize |
| Size of offsets for rangeDevc.
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size_t | rangeDevcSize |
| Size of offsets for sourceDevc.
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size_t | sourceDevcSize |
| Size of sources on device.
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size_t | targetDevcSize |
| Size of targets on device.
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int * | keysDevc |
| Offsets for rangeDevc.
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int * | rangeDevc |
| Offsets for sourceDevc.
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gpureal * | sourceDevc |
| Sources on device.
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gpureal * | targetDevc |
| Targets on device.
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real * | factorial |
| Factorial.
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real * | prefactor |
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real * | Anm |
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complex * | Cnm |
| M2L translation matrix .
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Unified CPU/GPU kernel class.
Definition at line 31 of file kernel.h.