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.