Basis | LRHandlerSRCoulomb< Func, BreakupBasis > | |
Breakup(ParticleSet &ref, mRealType rs_ext) override | LRHandlerSRCoulomb< Func, BreakupBasis > | inlinevirtual |
BreakupBasisType typedef | LRHandlerSRCoulomb< Func, BreakupBasis > | |
ClassName | LRHandlerBase | protected |
coefs | LRHandlerBase | |
dFk_dstrain | LRHandlerBase | |
evaldYkgstrain(mRealType k) const | LRHandlerSRCoulomb< Func, BreakupBasis > | inlineprivate |
evaluate(mRealType r, mRealType rinv) const override | LRHandlerSRCoulomb< Func, BreakupBasis > | 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 | LRHandlerSRCoulomb< Func, BreakupBasis > | inlinevirtual |
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 | LRHandlerSRCoulomb< Func, BreakupBasis > | inlinevirtual |
evaluateLR_dstrain(TinyVector< pRealType, OHMMS_DIM > k, pRealType kmag) const override | LRHandlerSRCoulomb< Func, BreakupBasis > | inlinevirtual |
evaluateLR_r0() const override | LRHandlerSRCoulomb< Func, BreakupBasis > | inlinevirtual |
evaluateLR_r0_dstrain(int i, int j) const | LRHandlerSRCoulomb< Func, BreakupBasis > | inline |
evaluateLR_r0_dstrain() const override | LRHandlerSRCoulomb< Func, BreakupBasis > | inlinevirtual |
evaluateSR_dstrain(TinyVector< pRealType, OHMMS_DIM > r, pRealType rmag) const override | LRHandlerSRCoulomb< Func, BreakupBasis > | inlinevirtual |
evaluateSR_k0() const override | LRHandlerSRCoulomb< Func, BreakupBasis > | inlinevirtual |
evaluateSR_k0_dstrain() const override | LRHandlerSRCoulomb< Func, BreakupBasis > | 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 |
evalYk(mRealType k) const | LRHandlerSRCoulomb< Func, BreakupBasis > | inlineprivate |
evalYkg(mRealType k) const | LRHandlerSRCoulomb< Func, BreakupBasis > | inlineprivate |
evalYkgstrain(mRealType k) const | LRHandlerSRCoulomb< Func, BreakupBasis > | inlineprivate |
filldFk_dk(KContainer &KList) | LRHandlerSRCoulomb< Func, BreakupBasis > | inlineprivate |
fillVk(std::vector< TinyVector< mRealType, 2 >> &KList) | LRHandlerSRCoulomb< Func, BreakupBasis > | inlineprivate |
fillYk(KContainer &KList) | LRHandlerSRCoulomb< Func, BreakupBasis > | inlineprivate |
fillYkg(const KContainer &KList) | LRHandlerSRCoulomb< Func, BreakupBasis > | inlineprivate |
fillYkgstrain(KContainer &KList) | LRHandlerSRCoulomb< Func, BreakupBasis > | inlineprivate |
FirstTime | LRHandlerSRCoulomb< Func, BreakupBasis > | |
Fk | LRHandlerBase | |
Fk_copy | LRHandlerSRCoulomb< Func, BreakupBasis > | |
Fk_symm | LRHandlerBase | |
Fkg | LRHandlerBase | |
Fkgstrain | LRHandlerBase | |
gcoefs | LRHandlerBase | |
get_kc() const | LRHandlerBase | inline |
get_rc() const | LRHandlerBase | inline |
GridType typedef | LRHandlerSRCoulomb< Func, BreakupBasis > | |
gstraincoefs | LRHandlerBase | |
initBreakup(ParticleSet &ref) override | LRHandlerSRCoulomb< Func, BreakupBasis > | inlinevirtual |
InitBreakup(const ParticleLayout &ref, int NumFunctions) | LRHandlerSRCoulomb< Func, BreakupBasis > | inlineprivate |
LR_kc | LRHandlerBase | |
LR_rc | LRHandlerBase | |
lrDf(mRealType r) const override | LRHandlerSRCoulomb< Func, BreakupBasis > | inlinevirtual |
LRHandlerBase(mRealType kc) | LRHandlerBase | inlineexplicit |
LRHandlerSRCoulomb(ParticleSet &ref, mRealType kc_in=-1.0) | LRHandlerSRCoulomb< Func, BreakupBasis > | inline |
LRHandlerSRCoulomb(const LRHandlerSRCoulomb &aLR, ParticleSet &ref) | LRHandlerSRCoulomb< Func, BreakupBasis > | inline |
makeClone(ParticleSet &ref) const override | LRHandlerSRCoulomb< Func, BreakupBasis > | inlinevirtual |
MaxKshell | LRHandlerBase | |
myFunc | LRHandlerSRCoulomb< Func, BreakupBasis > | |
ParticleLayout typedef | LRHandlerSRCoulomb< Func, BreakupBasis > | |
resetTargetParticleSet(ParticleSet &ref) override | LRHandlerSRCoulomb< Func, BreakupBasis > | inlinevirtual |
resetTargetParticleSet(ParticleSet &ref, mRealType rs) | LRHandlerSRCoulomb< Func, BreakupBasis > | inline |
rs | LRHandlerSRCoulomb< Func, BreakupBasis > | |
srDf(mRealType r, mRealType rinv) const override | LRHandlerSRCoulomb< Func, BreakupBasis > | inlinevirtual |
srDf_strain(mRealType r, mRealType rinv) const | LRHandlerSRCoulomb< Func, BreakupBasis > | inline |
~LRHandlerBase()=default | LRHandlerBase | virtual |
~LRHandlerSRCoulomb() override | LRHandlerSRCoulomb< Func, BreakupBasis > | inline |