SimParameters.h File Reference

#include "common.h"
#include "Vector.h"
#include "Lattice.h"
#include "MGridforceParams.h"

Go to the source code of this file.

Classes

class  SimParameters

Defines

#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 Documentation

#define C1   2

Definition at line 56 of file SimParameters.h.

Referenced by ComputeNonbondedUtil::select().

#define C2   3

Definition at line 57 of file SimParameters.h.

Referenced by ComputeNonbondedUtil::select().

#define CKLOOP_CTRL_PME_BACKWARDFFT   2

Definition at line 97 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 94 of file SimParameters.h.

Referenced by PmeXPencil::forward_fft(), PmeYPencil::forward_fft(), and PmeZPencil::forward_fft().

#define CKLOOP_CTRL_PME_KSPACE   3

Definition at line 96 of file SimParameters.h.

Referenced by ComputePmeMgr::gridCalc2R(), and PmeXPencil::pme_kspace().

#define CKLOOP_CTRL_PME_SENDTRANS   4

Definition at line 95 of file SimParameters.h.

Referenced by PmeYPencil::send_trans(), PmeZPencil::send_trans(), and ComputePmeMgr::sendTrans().

#define CKLOOP_CTRL_PME_SENDUNTRANS   1

Definition at line 98 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 93 of file SimParameters.h.

#define GO_LOWMEM   3

Definition at line 87 of file SimParameters.h.

#define GO_MATRIX   1

Definition at line 85 of file SimParameters.h.

#define GO_SPARSE   2

Definition at line 86 of file SimParameters.h.

#define LDBAL_CENTRALIZED   1

Definition at line 62 of file SimParameters.h.

Referenced by LdbCoordinator::createLoadBalancer().

#define LDBAL_HYBRID   2

Definition at line 63 of file SimParameters.h.

Referenced by LdbCoordinator::createLoadBalancer().

#define LDBAL_NONE   0

Definition at line 61 of file SimParameters.h.

Referenced by LdbCoordinator::rebalance().

#define LDBSTRAT_COMPREHENSIVE   11

Definition at line 66 of file SimParameters.h.

Referenced by NamdCentLB::Strategy().

#define LDBSTRAT_DEFAULT   10

Definition at line 65 of file SimParameters.h.

Referenced by NamdCentLB::Strategy().

#define LDBSTRAT_OLD   13

Definition at line 68 of file SimParameters.h.

Referenced by NamdCentLB::Strategy().

#define LDBSTRAT_REFINEONLY   12

Definition at line 67 of file SimParameters.h.

Referenced by NamdCentLB::Strategy().

#define NAIVE   0

Definition at line 49 of file SimParameters.h.

Referenced by Sequencer::integrate().

#define NONE   0

Definition at line 39 of file SimParameters.h.

Referenced by buildExclusions().

#define ONEFOUR   3

Definition at line 42 of file SimParameters.h.

Referenced by buildExclusions().

#define ONETHREE   2

Definition at line 41 of file SimParameters.h.

Referenced by buildExclusions().

#define ONETWO   1

Definition at line 40 of file SimParameters.h.

Referenced by buildExclusions().

#define RIGID_ALL   1

Definition at line 78 of file SimParameters.h.

Referenced by NamdState::configListInit().

#define RIGID_NONE   0

Definition at line 77 of file SimParameters.h.

Referenced by NamdState::configListInit(), WorkDistrib::createAtomLists(), Sequencer::rattle1(), and SELF().

#define RIGID_WATER   2

Definition at line 79 of file SimParameters.h.

#define SCALED14   4

Definition at line 43 of file SimParameters.h.

Referenced by buildExclusions(), and ComputeNonbondedUtil::select().

#define SHARP   0

Definition at line 54 of file SimParameters.h.

Referenced by ComputeNonbondedUtil::select().

#define SPLIT_PATCH_HYDROGEN   1

Definition at line 73 of file SimParameters.h.

#define SPLIT_PATCH_POSITION   0

Definition at line 72 of file SimParameters.h.

#define VERLETI   1

Definition at line 50 of file SimParameters.h.

#define XPLOR   1

Definition at line 55 of file SimParameters.h.

Referenced by ComputeNonbondedUtil::select().


Typedef Documentation

typedef int ExclusionSettings

Definition at line 26 of file SimParameters.h.

typedef int GoChoices

Definition at line 84 of file SimParameters.h.

typedef int MTSChoices

Definition at line 47 of file SimParameters.h.


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