QMCPACK
EwaldHandler3D Member List

This is the complete list of members for EwaldHandler3D, including all inherited members.

AreaEwaldHandler3D
Breakup(ParticleSet &ref, mRealType rs_in) overrideEwaldHandler3Dinlinevirtual
ClassNameLRHandlerBaseprotected
coefsLRHandlerBase
dFk_dstrainLRHandlerBase
evaldYkgstrain(mRealType k) constEwaldHandler3Dinlineprivate
evaluate(mRealType r, mRealType rinv) const overrideEwaldHandler3Dinlinevirtual
qmcplusplus::LRHandlerBase::evaluate(const std::vector< int > &kshell, const pRealType *restrict rk1_r, const pRealType *restrict rk1_i, const pRealType *restrict rk2_r, const pRealType *restrict rk2_i) constLRHandlerBaseinline
evaluate_slab(pRealType z, const std::vector< int > &kshell, const pRealType *restrict rk1_r, const pRealType *restrict rk1_i, const pRealType *restrict rk2_r, const pRealType *restrict rk2_i) constLRHandlerBaseinlinevirtual
evaluate_vlr_k(mRealType k) const overrideEwaldHandler3Dvirtual
evaluate_w_sk(const std::vector< int > &kshell, const pRealType *restrict sk) constLRHandlerBaseinline
evaluateGrad(const ParticleSet &A, const ParticleSet &B, int specB, std::vector< pRealType > &Zat, std::vector< TinyVector< pRealType, OHMMS_DIM >> &grad1) constLRHandlerBaseinline
evaluateLR(mRealType r) const overrideEwaldHandler3Dinlinevirtual
evaluateLR_dstrain(TinyVector< pRealType, OHMMS_DIM > k, pRealType kmag) const overrideEwaldHandler3Dinlinevirtual
evaluateLR_r0() const overrideEwaldHandler3Dinlinevirtual
evaluateLR_r0_dstrain(int i, int j) constEwaldHandler3Dinline
evaluateLR_r0_dstrain() const overrideEwaldHandler3Dinlinevirtual
evaluateSR_dstrain(TinyVector< pRealType, OHMMS_DIM > r, pRealType rmag) const overrideEwaldHandler3Dinlinevirtual
evaluateSR_k0() const overrideEwaldHandler3Dinlinevirtual
evaluateSR_k0_dstrain() const overrideEwaldHandler3Dinlinevirtual
evaluateStress(const std::vector< int > &kshell, const pRealType *rhokA_r, const pRealType *rhokA_i, const pRealType *rhokB_r, const pRealType *rhokB_i) constLRHandlerBaseinline
evalYkgstrain(mRealType k) constEwaldHandler3Dinlineprivate
EwaldHandler3D(ParticleSet &ref, mRealType kc_in=-1.0)EwaldHandler3Dinline
EwaldHandler3D(const EwaldHandler3D &aLR, ParticleSet &ref)EwaldHandler3D
filldFk_dk(const KContainer &KList)EwaldHandler3Dinline
fillFk(const KContainer &KList)EwaldHandler3D
fillYkgstrain(const KContainer &KList)EwaldHandler3Dinline
FkLRHandlerBase
Fk_symmLRHandlerBase
FkgLRHandlerBase
FkgstrainLRHandlerBase
gcoefsLRHandlerBase
get_kc() constLRHandlerBaseinline
get_rc() constLRHandlerBaseinline
gstraincoefsLRHandlerBase
initBreakup(ParticleSet &ref) overrideEwaldHandler3Dvirtual
kMagEwaldHandler3D
LR_kcLRHandlerBase
LR_rcLRHandlerBase
lrDf(mRealType r) const overrideEwaldHandler3Dinlinevirtual
LRHandlerBase(mRealType kc)LRHandlerBaseinlineexplicit
makeClone(ParticleSet &ref) const overrideEwaldHandler3Dinlinevirtual
MaxKshellLRHandlerBase
PreFactorsEwaldHandler3D
resetTargetParticleSet(ParticleSet &ref) overrideEwaldHandler3Dinlinevirtual
SigmaEwaldHandler3D
srDf(mRealType r, mRealType rinv) const overrideEwaldHandler3Dinlinevirtual
SuperCellEnumEwaldHandler3D
VolumeEwaldHandler3D
~LRHandlerBase()=defaultLRHandlerBasevirtual