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QMCPACK
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This is the complete list of members for EwaldHandler3D, including all inherited members.
Area | EwaldHandler3D | |
Breakup(ParticleSet &ref, mRealType rs_in) override | EwaldHandler3D | inlinevirtual |
ClassName | LRHandlerBase | protected |
coefs | LRHandlerBase | |
dFk_dstrain | LRHandlerBase | |
evaldYkgstrain(mRealType k) const | EwaldHandler3D | inlineprivate |
evaluate(mRealType r, mRealType rinv) const override | EwaldHandler3D | inlinevirtual |
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) const | LRHandlerBase | inline |
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) const | LRHandlerBase | inlinevirtual |
evaluate_vlr_k(mRealType k) const override | EwaldHandler3D | virtual |
evaluate_w_sk(const std::vector< int > &kshell, const pRealType *restrict sk) const | LRHandlerBase | inline |
evaluateGrad(const ParticleSet &A, const ParticleSet &B, int specB, std::vector< pRealType > &Zat, std::vector< TinyVector< pRealType, OHMMS_DIM >> &grad1) const | LRHandlerBase | inline |
evaluateLR(mRealType r) const override | EwaldHandler3D | inlinevirtual |
evaluateLR_dstrain(TinyVector< pRealType, OHMMS_DIM > k, pRealType kmag) const override | EwaldHandler3D | inlinevirtual |
evaluateLR_r0() const override | EwaldHandler3D | inlinevirtual |
evaluateLR_r0_dstrain(int i, int j) const | EwaldHandler3D | inline |
evaluateLR_r0_dstrain() const override | EwaldHandler3D | inlinevirtual |
evaluateSR_dstrain(TinyVector< pRealType, OHMMS_DIM > r, pRealType rmag) const override | EwaldHandler3D | inlinevirtual |
evaluateSR_k0() const override | EwaldHandler3D | inlinevirtual |
evaluateSR_k0_dstrain() const override | EwaldHandler3D | inlinevirtual |
evaluateStress(const std::vector< int > &kshell, const pRealType *rhokA_r, const pRealType *rhokA_i, const pRealType *rhokB_r, const pRealType *rhokB_i) const | LRHandlerBase | inline |
evalYkgstrain(mRealType k) const | EwaldHandler3D | inlineprivate |
EwaldHandler3D(ParticleSet &ref, mRealType kc_in=-1.0) | EwaldHandler3D | inline |
EwaldHandler3D(const EwaldHandler3D &aLR, ParticleSet &ref) | EwaldHandler3D | |
filldFk_dk(const KContainer &KList) | EwaldHandler3D | inline |
fillFk(const KContainer &KList) | EwaldHandler3D | |
fillYkgstrain(const KContainer &KList) | EwaldHandler3D | inline |
Fk | LRHandlerBase | |
Fk_symm | LRHandlerBase | |
Fkg | LRHandlerBase | |
Fkgstrain | LRHandlerBase | |
gcoefs | LRHandlerBase | |
get_kc() const | LRHandlerBase | inline |
get_rc() const | LRHandlerBase | inline |
gstraincoefs | LRHandlerBase | |
initBreakup(ParticleSet &ref) override | EwaldHandler3D | virtual |
kMag | EwaldHandler3D | |
LR_kc | LRHandlerBase | |
LR_rc | LRHandlerBase | |
lrDf(mRealType r) const override | EwaldHandler3D | inlinevirtual |
LRHandlerBase(mRealType kc) | LRHandlerBase | inlineexplicit |
makeClone(ParticleSet &ref) const override | EwaldHandler3D | inlinevirtual |
MaxKshell | LRHandlerBase | |
PreFactors | EwaldHandler3D | |
resetTargetParticleSet(ParticleSet &ref) override | EwaldHandler3D | inlinevirtual |
Sigma | EwaldHandler3D | |
srDf(mRealType r, mRealType rinv) const override | EwaldHandler3D | inlinevirtual |
SuperCellEnum | EwaldHandler3D | |
Volume | EwaldHandler3D | |
~LRHandlerBase()=default | LRHandlerBase | virtual |