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#define _LATTICE_CONSTANT_HH_ |
#define _LATTICE_CONSTANT_HH_ |
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#include"../RietveldAnalysisTypes.hh" |
#include"../RietveldAnalysisTypes.hh" |
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#include"../utility_data_structure/SymMat.hh" |
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#include"../utility_data_structure/VecDat3.hh" |
#include"../utility_data_structure/VecDat3.hh" |
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#include"../utility_data_structure/SymMatWCovar.hh" |
#include"../utility_data_structure/SymMatWCovar.hh" |
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// calculate the lattice_constants a, b, c, alpha, beta, gamma(deg) from S(i.e. A*,B*,C*,D*,E*,F*). |
// calculate the lattice_constants a, b, c, alpha, beta, gamma(deg) from S(i.e. A*,B*,C*,D*,E*,F*). |
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void calLatticeConstant(const SymMatWCovar&, VecDat3<Double>&, VecDat3<Double>&, SymMat<Double>& LatConst_covar); |
void calLatticeConstant(const SymMatWCovar&, VecDat3<Double>&, VecDat3<Double>&, SymMat<Double>& LatConst_covar); |
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//// Returns the volume of the co-lattice unit cell from S. |
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//inline Double calCoLatticeUnitCellVolume(const SymMat<Double>& S) |
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//{ |
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// assert( S.size() == 3 ); |
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// return sqrt( S(0,0)*S(1,1)*S(2,2) - S(0,0)*S(1,2)*S(1,2) - S(1,1)*S(0,2)*S(0,2) - S(2,2)*S(0,1)*S(0,1) |
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// + 2.0*S(0,1)*S(0,2)*S(1,2) ); |
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//} |
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// |
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#endif /*LATTICE_CONSTANT_HH_*/ |
#endif /*LATTICE_CONSTANT_HH_*/ |
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