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Merge branch 'remove-ParticleBase' of xgitlab.cels.anl.gov:QMCPACK/qmcpack-dev into remove-ParticleBase

This commit is contained in:
Ye Luo 2017-09-29 16:14:14 -05:00
parent e1fbd9e5fc 5581ec1f3f
commit af1b281528
1 changed files with 12 additions and 10 deletions
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22
src/QMCWaveFunctions/Fermion/MultiSlaterDeterminantFast.h
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@ -162,15 +162,14 @@ public:
// assume Dets[0]: up, Dets[1]:down
std::vector<MultiDiracDeterminantBase*> Dets;
std::vector<int> DetID;
/** Start: Keep these as pointers and make shallow copy*/
aligned_vector<int> DetID;
std::map<std::string,int> SPOSetID;
// map determinant in linear combination to unique det list
std::vector<int> C2node_up;
std::vector<int> C2node_dn;
std::vector<RealType> C;
aligned_vector<int> C2node_up;
aligned_vector<int> C2node_dn;
aligned_vector<RealType> C;
/** End: Keep these as pointers and make shallow copy*/
ValueType curRatio;
ValueType psiCurrent;
@ -187,11 +186,14 @@ public:
// CSFs
// coefficients of csfs, these are only used during optm
std::vector<RealType> CSFcoeff;
/** Start: Keep these as pointers and make shallow copy*/
aligned_vector<RealType> CSFcoeff;
// number of dets per csf
std::vector<int> DetsPerCSF;
aligned_vector<int> DetsPerCSF;
// coefficient of csf expansion (smaller dimension)
std::vector<RealType> CSFexpansion;
aligned_vector<RealType> CSFexpansion;
/** End: Keep these as pointers and make shallow copy*/
// transformation
BackflowTransformation *BFTrans;