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NAMD
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#include "common.h"#include "Vector.h"#include "Lattice.h"#include "MGridforceParams.h"#include "GroupRestraintsParam.h"Go to the source code of this file.
Classes | |
| class | SimParameters |
Macros | |
| #define | NONE 0 |
| #define | ONETWO 1 |
| #define | ONETHREE 2 |
| #define | ONEFOUR 3 |
| #define | SCALED14 4 |
| #define | NAIVE 0 |
| #define | VERLETI 1 |
| #define | SHARP 0 |
| #define | XPLOR 1 |
| #define | C1 2 |
| #define | C2 3 |
| #define | LDBAL_NONE 0 |
| #define | LDBAL_CENTRALIZED 1 |
| #define | LDBAL_HYBRID 2 |
| #define | LDBSTRAT_DEFAULT 10 |
| #define | LDBSTRAT_COMPREHENSIVE 11 |
| #define | LDBSTRAT_REFINEONLY 12 |
| #define | LDBSTRAT_OLD 13 |
| #define | SPLIT_PATCH_POSITION 0 |
| #define | SPLIT_PATCH_HYDROGEN 1 |
| #define | RIGID_NONE 0 |
| #define | RIGID_ALL 1 |
| #define | RIGID_WATER 2 |
| #define | GO_MATRIX 1 |
| #define | GO_SPARSE 2 |
| #define | GO_LOWMEM 3 |
| #define | CKLOOP_CTRL_PME_UNGRIDCALC 6 |
| #define | CKLOOP_CTRL_PME_FORWARDFFT 5 |
| #define | CKLOOP_CTRL_PME_SENDTRANS 4 |
| #define | CKLOOP_CTRL_PME_KSPACE 3 |
| #define | CKLOOP_CTRL_PME_BACKWARDFFT 2 |
| #define | CKLOOP_CTRL_PME_SENDUNTRANS 1 |
Typedefs | |
| typedef int | ExclusionSettings |
| typedef int | MTSChoices |
| typedef int | GoChoices |
| #define C1 2 |
Definition at line 58 of file SimParameters.h.
Referenced by ComputeNonbondedUtil::select().
| #define C2 3 |
Definition at line 59 of file SimParameters.h.
Referenced by ComputeNonbondedUtil::select().
| #define CKLOOP_CTRL_PME_BACKWARDFFT 2 |
Definition at line 99 of file SimParameters.h.
Referenced by PmeZPencil::backward_fft(), PmeYPencil::backward_fft(), and PmeXPencil::backward_fft().
| #define CKLOOP_CTRL_PME_FORWARDFFT 5 |
Definition at line 96 of file SimParameters.h.
Referenced by PmeZPencil::forward_fft(), PmeYPencil::forward_fft(), and PmeXPencil::forward_fft().
| #define CKLOOP_CTRL_PME_KSPACE 3 |
Definition at line 98 of file SimParameters.h.
Referenced by ComputePmeMgr::gridCalc2R(), and PmeXPencil::pme_kspace().
| #define CKLOOP_CTRL_PME_SENDTRANS 4 |
Definition at line 97 of file SimParameters.h.
Referenced by PmeZPencil::send_trans(), PmeYPencil::send_trans(), and ComputePmeMgr::sendTrans().
| #define CKLOOP_CTRL_PME_SENDUNTRANS 1 |
Definition at line 100 of file SimParameters.h.
Referenced by PmeZPencil::send_all_ungrid(), PmeYPencil::send_untrans(), PmeXPencil::send_untrans(), ComputePmeMgr::sendUngrid(), and ComputePmeMgr::sendUntrans().
| #define CKLOOP_CTRL_PME_UNGRIDCALC 6 |
Definition at line 95 of file SimParameters.h.
| #define GO_LOWMEM 3 |
Definition at line 89 of file SimParameters.h.
| #define GO_MATRIX 1 |
Definition at line 87 of file SimParameters.h.
| #define GO_SPARSE 2 |
Definition at line 88 of file SimParameters.h.
| #define LDBAL_CENTRALIZED 1 |
Definition at line 64 of file SimParameters.h.
Referenced by LdbCoordinator::createLoadBalancer().
| #define LDBAL_HYBRID 2 |
Definition at line 65 of file SimParameters.h.
Referenced by LdbCoordinator::createLoadBalancer().
| #define LDBAL_NONE 0 |
Definition at line 63 of file SimParameters.h.
Referenced by LdbCoordinator::rebalance().
| #define LDBSTRAT_COMPREHENSIVE 11 |
Definition at line 68 of file SimParameters.h.
Referenced by NamdCentLB::Strategy().
| #define LDBSTRAT_DEFAULT 10 |
Definition at line 67 of file SimParameters.h.
Referenced by NamdCentLB::Strategy().
| #define LDBSTRAT_OLD 13 |
Definition at line 70 of file SimParameters.h.
Referenced by NamdCentLB::Strategy().
| #define LDBSTRAT_REFINEONLY 12 |
Definition at line 69 of file SimParameters.h.
Referenced by NamdCentLB::Strategy().
| #define NAIVE 0 |
Definition at line 51 of file SimParameters.h.
Referenced by Sequencer::integrate().
| #define NONE 0 |
Definition at line 41 of file SimParameters.h.
Referenced by buildExclusions().
| #define ONEFOUR 3 |
Definition at line 44 of file SimParameters.h.
Referenced by buildExclusions().
| #define ONETHREE 2 |
Definition at line 43 of file SimParameters.h.
Referenced by buildExclusions().
| #define ONETWO 1 |
Definition at line 42 of file SimParameters.h.
Referenced by buildExclusions().
| #define RIGID_ALL 1 |
Definition at line 80 of file SimParameters.h.
Referenced by NamdState::configListInit().
| #define RIGID_NONE 0 |
Definition at line 79 of file SimParameters.h.
Referenced by NamdState::configListInit(), WorkDistrib::createAtomLists(), HomePatch::depositMigration(), Sequencer::rattle1(), Sequencer::rattle1_SOA(), HomePatch::recvCheckpointLoad(), HomePatch::recvExchangeMsg(), and HomePatch::revert().
| #define RIGID_WATER 2 |
Definition at line 81 of file SimParameters.h.
| #define SCALED14 4 |
Definition at line 45 of file SimParameters.h.
Referenced by buildExclusions(), and ComputeNonbondedUtil::select().
| #define SHARP 0 |
Definition at line 56 of file SimParameters.h.
Referenced by ComputeNonbondedUtil::select().
| #define SPLIT_PATCH_HYDROGEN 1 |
Definition at line 75 of file SimParameters.h.
| #define SPLIT_PATCH_POSITION 0 |
Definition at line 74 of file SimParameters.h.
| #define VERLETI 1 |
Definition at line 52 of file SimParameters.h.
| #define XPLOR 1 |
Definition at line 57 of file SimParameters.h.
Referenced by ComputeNonbondedUtil::select().
| typedef int ExclusionSettings |
Definition at line 28 of file SimParameters.h.
| typedef int GoChoices |
Definition at line 86 of file SimParameters.h.
| typedef int MTSChoices |
Definition at line 49 of file SimParameters.h.
1.8.14