NAMD
ComputeNonbondedSelf Member List

This is the complete list of members for ComputeNonbondedSelf, including all inherited members.

A12_fComputeNonbondedUtilprivatestatic
A6_fComputeNonbondedUtilprivatestatic
accelMDOnComputeNonbondedUtilprivatestatic
alchDecoupleComputeNonbondedUtilprivatestatic
alchFepOnComputeNonbondedUtilprivatestatic
alchThermIntOnComputeNonbondedUtilprivatestatic
alchVdwShiftCoeffComputeNonbondedUtilprivatestatic
alchWCAOnComputeNonbondedUtilprivatestatic
atomUpdate()ComputePatchvirtual
avgPositionBoxComputeNonbondedSelfprotected
B12_fComputeNonbondedUtilprivatestatic
B6_fComputeNonbondedUtilprivatestatic
basePriorityComputeprotected
bornRadBoxComputeNonbondedSelfprotected
c0ComputeNonbondedUtilprivatestatic
c1ComputeNonbondedUtilprivatestatic
C12_fComputeNonbondedUtilprivatestatic
c3ComputeNonbondedUtilprivatestatic
c5ComputeNonbondedUtilprivatestatic
c6ComputeNonbondedUtilprivatestatic
C6_fComputeNonbondedUtilprivatestatic
c7ComputeNonbondedUtilprivatestatic
c8ComputeNonbondedUtilprivatestatic
calc_error(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_fep(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_fullelect(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_fullelect_fep(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_fullelect_go(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_fullelect_int(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_fullelect_les(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_fullelect_pprof(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_fullelect_tabener(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_fullelect_ti(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_go(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_int(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_les(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_merge_fullelect(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_merge_fullelect_fep(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_merge_fullelect_go(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_merge_fullelect_int(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_merge_fullelect_les(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_merge_fullelect_pprof(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_merge_fullelect_tabener(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_merge_fullelect_ti(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_pprof(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_slow_fullelect(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_slow_fullelect_fep(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_slow_fullelect_go(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_slow_fullelect_les(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_slow_fullelect_pprof(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_slow_fullelect_tabener(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_slow_fullelect_ti(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_tabener(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_energy_ti(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_fullelect(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_fullelect_go(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_fullelect_les(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_fullelect_pprof(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_fullelect_tabener(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_fullelect_ti(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_go(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_les(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_merge_fullelect(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_merge_fullelect_go(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_merge_fullelect_les(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_merge_fullelect_pprof(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_merge_fullelect_tabener(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_merge_fullelect_ti(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_pprof(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_slow_fullelect(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_slow_fullelect_go(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_slow_fullelect_les(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_slow_fullelect_pprof(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_slow_fullelect_tabener(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_slow_fullelect_ti(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_tabener(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_pair_ti(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_fep(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_fullelect(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_fullelect_fep(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_fullelect_go(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_fullelect_int(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_fullelect_les(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_fullelect_pprof(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_fullelect_tabener(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_fullelect_ti(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_go(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_int(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_les(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_merge_fullelect(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_merge_fullelect_fep(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_merge_fullelect_go(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_merge_fullelect_int(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_merge_fullelect_les(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_merge_fullelect_pprof(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_merge_fullelect_tabener(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_merge_fullelect_ti(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_pprof(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_slow_fullelect(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_slow_fullelect_fep(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_slow_fullelect_go(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_slow_fullelect_les(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_slow_fullelect_pprof(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_slow_fullelect_tabener(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_slow_fullelect_ti(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_tabener(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_energy_ti(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_fullelect(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_fullelect_go(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_fullelect_les(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_fullelect_pprof(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_fullelect_tabener(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_fullelect_ti(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_go(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_les(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_merge_fullelect(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_merge_fullelect_go(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_merge_fullelect_les(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_merge_fullelect_pprof(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_merge_fullelect_tabener(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_merge_fullelect_ti(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_pprof(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_slow_fullelect(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_slow_fullelect_go(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_slow_fullelect_les(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_slow_fullelect_pprof(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_slow_fullelect_tabener(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_slow_fullelect_ti(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_tabener(nonbonded *)ComputeNonbondedUtilprivatestatic
calc_self_ti(nonbonded *)ComputeNonbondedUtilprivatestatic
calcFullPairComputeNonbondedUtilprivatestatic
calcFullPairEnergyComputeNonbondedUtilprivatestatic
calcFullSelfComputeNonbondedUtilprivatestatic
calcFullSelfEnergyComputeNonbondedUtilprivatestatic
calcGBIS(nonbonded *params, GBISParamStruct *gbisParams)ComputeNonbondedUtilprivate
calcMergePairComputeNonbondedUtilprivatestatic
calcMergePairEnergyComputeNonbondedUtilprivatestatic
calcMergeSelfComputeNonbondedUtilprivatestatic
calcMergeSelfEnergyComputeNonbondedUtilprivatestatic
calcPairComputeNonbondedUtilprivatestatic
calcPairEnergyComputeNonbondedUtilprivatestatic
calcSelfComputeNonbondedUtilprivatestatic
calcSelfEnergyComputeNonbondedUtilprivatestatic
calcSlowPairComputeNonbondedUtilprivatestatic
calcSlowPairEnergyComputeNonbondedUtilprivatestatic
calcSlowSelfComputeNonbondedUtilprivatestatic
calcSlowSelfEnergyComputeNonbondedUtilprivatestatic
cidCompute
columnsizeComputeNonbondedUtilprivatestatic
commOnlyComputeNonbondedUtilprivatestatic
Compute(ComputeID)Compute
ComputeNonbondedSelf(ComputeID c, PatchID pid, ComputeNonbondedWorkArrays *_workArrays, int minPartition=0, int maxPartition=1, int numPartitions=1)ComputeNonbondedSelf
ComputeNonbondedUtil()ComputeNonbondedUtilinlineprivate
ComputePatch(ComputeID c, PatchID pid)ComputePatch
computeTypeComputeprotected
corr_tableComputeNonbondedUtilprivatestatic
cutoffComputeNonbondedUtilprivatestatic
cutoff2ComputeNonbondedUtilprivatestatic
cutoff2_fComputeNonbondedUtilprivatestatic
cutoff_3ComputeNonbondedUtilprivatestatic
cutoff_3_fComputeNonbondedUtilprivatestatic
cutoff_6ComputeNonbondedUtilprivatestatic
cutoff_6_fComputeNonbondedUtilprivatestatic
dEdaSumBoxComputeNonbondedSelfprotected
dHdrPrefixBoxComputeNonbondedSelfprotected
dielectric_1ComputeNonbondedUtilprivatestatic
doForce(CompAtom *p, CompAtomExt *pExt, Results *r)ComputeNonbondedSelfprotectedvirtual
doWork()ComputePatchvirtual
drudeNbtholeComputeNonbondedUtilprivatestatic
electEnergyIndex enum valueComputeNonbondedUtilprivate
electEnergyIndex_s enum valueComputeNonbondedUtilprivate
electEnergyIndex_ti_1 enum valueComputeNonbondedUtilprivate
electEnergyIndex_ti_2 enum valueComputeNonbondedUtilprivate
enqueueWork()Computeprotected
ewaldcofComputeNonbondedUtilprivatestatic
exclChecksumIndex enum valueComputeNonbondedUtilprivate
fast_tableComputeNonbondedUtilprivatestatic
finishPatch(int)Computevirtual
fixedAtomsOnComputeNonbondedUtilprivatestatic
forceBoxComputePatchprotected
full_tableComputeNonbondedUtilprivatestatic
fullElectEnergyIndex enum valueComputeNonbondedUtilprivate
fullElectEnergyIndex_s enum valueComputeNonbondedUtilprivate
fullElectEnergyIndex_ti_1 enum valueComputeNonbondedUtilprivate
fullElectEnergyIndex_ti_2 enum valueComputeNonbondedUtilprivate
gbisP2PatchReady(PatchID, int seq)Computevirtual
gbisP3PatchReady(PatchID, int seq)Computevirtual
gbisParamsComputeNonbondedSelf
gbisPhaseComputeprotected
gbisPhasePriorityComputeprotected
gbisStepPairlistsComputeNonbondedSelfprotected
getGBISPhase(void)Computeinline
getNumPatches()Computeinline
goForcesOnComputeNonbondedUtilprivatestatic
goGroPairComputeNonbondedUtilprivatestatic
goMethodComputeNonbondedUtilprivatestatic
goNativeEnergyIndex enum valueComputeNonbondedUtilprivate
goNonnativeEnergyIndex enum valueComputeNonbondedUtilprivate
groGaussEnergyIndex enum valueComputeNonbondedUtilprivate
groLJEnergyIndex enum valueComputeNonbondedUtilprivate
initialize()ComputeNonbondedSelfprotectedvirtual
intRadComputeNonbondedSelfprotected
intRadBoxComputeNonbondedSelfprotected
k_vdwaComputeNonbondedUtilprivatestatic
k_vdwa_fComputeNonbondedUtilprivatestatic
k_vdwbComputeNonbondedUtilprivatestatic
k_vdwb_fComputeNonbondedUtilprivatestatic
lambda_tableComputeNonbondedUtilprivatestatic
ldObjHandleCompute
lesFactorComputeNonbondedUtilprivatestatic
lesOnComputeNonbondedUtilprivatestatic
lesScalingComputeNonbondedUtilprivatestatic
ljTableComputeNonbondedUtilprivatestatic
localWorkMsgCompute
maxPartComputeNonbondedSelfprotected
minPartComputeNonbondedSelfprotected
molComputeNonbondedUtilprivatestatic
noWork()ComputeNonbondedSelfprotectedvirtual
numAtomsComputePatchprotected
numGBISPairlistsComputeNonbondedSelfprotectedstatic
numPartsComputeNonbondedSelfprotected
pComputePatchprotected
pairInteractionOnComputeNonbondedUtilprivatestatic
pairInteractionSelfComputeNonbondedUtilprivatestatic
pairlistsComputeNonbondedSelfprotected
pairlistsValidComputeNonbondedSelfprotected
pairlistToleranceComputeNonbondedSelfprotected
pairlistWarningIndex enum valueComputeNonbondedUtilprivate
paramsComputeNonbondedSelf
patchComputePatchprotected
patchIDComputePatchprotected
patchReady(PatchID, int doneMigration, int seq)Computevirtual
pExtComputePatchprotected
pi_ewaldcofComputeNonbondedUtilprivatestatic
positionBoxComputePatchprotected
pressureProfileAtomTypesComputeNonbondedUtilprivatestatic
pressureProfileDataComputeNonbondedSelfprotected
pressureProfileMinComputeNonbondedUtilprivatestatic
pressureProfileOnComputeNonbondedUtilprivatestatic
pressureProfileReductionComputeNonbondedSelfprotected
pressureProfileSlabsComputeNonbondedUtilprivatestatic
pressureProfileThicknessComputeNonbondedUtilprivatestatic
priority(void)Computeinline
psiSumBoxComputeNonbondedSelfprotected
qmForcesOnComputeNonbondedUtilprivatestatic
rComputePatchprotected
r2_deltaComputeNonbondedUtilprivatestatic
r2_delta_1ComputeNonbondedUtilprivatestatic
r2_delta_expComputeNonbondedUtilprivatestatic
r2_tableComputeNonbondedUtilprivatestatic
reductionComputeNonbondedSelfprotected
reductionDataComputeNonbondedSelf
reductionDataSize enum valueComputeNonbondedUtilprivate
rowsizeComputeNonbondedUtilprivatestatic
scale14ComputeNonbondedUtilprivatestatic
scalingComputeNonbondedUtilprivatestatic
scor_tableComputeNonbondedUtilprivatestatic
select(void)ComputeNonbondedUtilprivatestatic
sequence(void)Computeinline
setNumPatches(int n)Computeinline
slow_tableComputeNonbondedUtilprivatestatic
square(const BigReal &x, const BigReal &y, const BigReal &z)ComputeNonbondedUtilinlineprivatestatic
submitPressureProfileData(BigReal *, SubmitReduction *)ComputeNonbondedUtilprivatestatic
submitReductionData(BigReal *, SubmitReduction *)ComputeNonbondedUtilprivatestatic
switchOnComputeNonbondedUtilprivatestatic
switchOn2ComputeNonbondedUtilprivatestatic
switchOn_1ComputeNonbondedUtilprivatestatic
switchOn_fComputeNonbondedUtilprivatestatic
table_allocComputeNonbondedUtilprivatestatic
table_enerComputeNonbondedUtilprivatestatic
table_lengthComputeNonbondedUtilprivatestatic
table_noshortComputeNonbondedUtilprivatestatic
table_shortComputeNonbondedUtilprivatestatic
TENSOR enum valueComputeNonbondedUtilprivate
type()Computeinline
v_vdwaComputeNonbondedUtilprivatestatic
v_vdwa_fComputeNonbondedUtilprivatestatic
v_vdwbComputeNonbondedUtilprivatestatic
v_vdwb_fComputeNonbondedUtilprivatestatic
vdw_switch_modeComputeNonbondedUtilprivatestatic
vdwa_tableComputeNonbondedUtilprivatestatic
vdwb_tableComputeNonbondedUtilprivatestatic
vdwEnergyIndex enum valueComputeNonbondedUtilprivate
vdwEnergyIndex_s enum valueComputeNonbondedUtilprivate
vdwEnergyIndex_ti_1 enum valueComputeNonbondedUtilprivate
vdwEnergyIndex_ti_2 enum valueComputeNonbondedUtilprivate
vdwForceSwitchingComputeNonbondedUtilprivatestatic
VECTOR enum valueComputeNonbondedUtilprivate
velocityBoxComputeNonbondedSelfprotected
workArraysComputeNonbondedSelfprotected
~Compute()Computevirtual
~ComputeNonbondedSelf()ComputeNonbondedSelfvirtual
~ComputeNonbondedUtil()ComputeNonbondedUtilinlineprivate
~ComputePatch()ComputePatchvirtual