NAMD
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Classes | |
class | Pairlists |
class | ComputeNonbondedWorkArrays |
struct | GBISParamStruct |
struct | nonbonded |
class | ComputeNonbondedUtil |
Macros | |
#define | NBWORKARRAYSINIT(ARRAYS) ComputeNonbondedWorkArrays* const computeNonbondedWorkArrays = ARRAYS; |
#define | NBWORKARRAY(TYPE, NAME, SIZE) |
#define | VDW_SWITCH_MODE_ENERGY 0 |
#define | VDW_SWITCH_MODE_MARTINI 1 |
#define | VDW_SWITCH_MODE_FORCE 2 |
Typedefs | |
typedef unsigned short | plint |
Functions | |
void | register_cuda_compute_self (ComputeID c, PatchID pid) |
void | register_cuda_compute_pair (ComputeID c, PatchID pid[], int t[]) |
void | unregister_cuda_compute (ComputeID c) |
#define NBWORKARRAY | ( | TYPE, | |
NAME, | |||
SIZE | |||
) |
Definition at line 97 of file ComputeNonbondedUtil.h.
#define NBWORKARRAYSINIT | ( | ARRAYS | ) | ComputeNonbondedWorkArrays* const computeNonbondedWorkArrays = ARRAYS; |
Definition at line 88 of file ComputeNonbondedUtil.h.
#define VDW_SWITCH_MODE_ENERGY 0 |
Definition at line 416 of file ComputeNonbondedUtil.h.
Referenced by for(), and ComputeNonbondedUtil::select().
#define VDW_SWITCH_MODE_FORCE 2 |
Definition at line 418 of file ComputeNonbondedUtil.h.
Referenced by ComputeNonbondedUtil::select().
#define VDW_SWITCH_MODE_MARTINI 1 |
Definition at line 417 of file ComputeNonbondedUtil.h.
Referenced by for(), and ComputeNonbondedUtil::select().
typedef unsigned short plint |
Definition at line 33 of file ComputeNonbondedUtil.h.
Definition at line 394 of file ComputeNonbondedCUDA.C.
References ComputeNonbondedCUDA::compute_record::c, PatchMap::center(), cudaCompute, ComputeNonbondedCUDA::localComputeRecords, NAMD_bug(), ComputeNonbondedCUDA::compute_record::offset, ComputeNonbondedCUDA::patchMap, ComputeNonbondedCUDA::patchRecords, ComputeNonbondedCUDA::compute_record::pid, ComputeNonbondedCUDA::remoteComputeRecords, ComputeNonbondedCUDA::requirePatch(), Vector::x, Vector::y, and Vector::z.
Referenced by ComputeNonbondedPair::initialize().
Definition at line 377 of file ComputeNonbondedCUDA.C.
References ComputeNonbondedCUDA::compute_record::c, cudaCompute, ComputeNonbondedCUDA::localComputeRecords, NAMD_bug(), ComputeNonbondedCUDA::compute_record::offset, ComputeNonbondedCUDA::patchRecords, ComputeNonbondedCUDA::compute_record::pid, ComputeNonbondedCUDA::remoteComputeRecords, and ComputeNonbondedCUDA::requirePatch().
Referenced by ComputeNonbondedSelf::initialize().