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Diff of /BLDConograph_ver1/trunk/src/lattice_symmetry/lattice_symmetry.cc
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inline bool equiv_zero(const SymMat<Double>& S, const Int4& i, const Int4& j, const Double& resol) |
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{ |
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// S(i, i) + S(j, j) + |S(i, j)|*2 < (S(i, i) + S(j, j) - |S(i, j)|*2)*(1 + resol). |
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return fabs( S(i,j) )*( 4.0 + resol*2.0) <= resol*(S(i,i) + S(j,j)); |
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} |
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static void insert_super_obtuse_equiv(const pair< NRMat<Int4>, SymMat<Double> >& S_super, |
static void insert_super_obtuse_equiv(const pair< NRMat<Int4>, SymMat<Double> >& S_super, |
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const Double& resol, const Double& Max_totalQ, |
const Double& resol, const Double& Max_totalQ, |
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map<NRMat<Int4>, SymMat<Double> >& equivalent_tray) |
map<NRMat<Int4>, SymMat<Double> >& equivalent_tray) |
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Added in v.32 |
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