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Commit 8ceae5e7 authored by Wuttke, Joachim's avatar Wuttke, Joachim
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rm unused Lattice::computeInverseVectors

can never have worked, as output arguments are not passed by reference
parent 3c083a2e
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......@@ -192,46 +192,6 @@ std::vector<kvector_t> Lattice::vectorsWithinRadius(const kvector_t input_vector
return ret;
}
void Lattice::computeInverseVectors(const kvector_t v1, const kvector_t v2, const kvector_t v3,
kvector_t o1, kvector_t o2, kvector_t o3)
{
gsl_matrix* p_basisMatrix = gsl_matrix_alloc(3, 3);
gsl_matrix* p_inverseMatrix = gsl_matrix_alloc(3, 3);
gsl_permutation* p_perm = gsl_permutation_alloc(3);
int s;
gsl_matrix_set(p_basisMatrix, 0, 0, v1.x());
gsl_matrix_set(p_basisMatrix, 0, 1, v2.x());
gsl_matrix_set(p_basisMatrix, 0, 2, v3.x());
gsl_matrix_set(p_basisMatrix, 1, 0, v1.y());
gsl_matrix_set(p_basisMatrix, 1, 1, v2.y());
gsl_matrix_set(p_basisMatrix, 1, 2, v3.y());
gsl_matrix_set(p_basisMatrix, 2, 0, v1.z());
gsl_matrix_set(p_basisMatrix, 2, 1, v2.z());
gsl_matrix_set(p_basisMatrix, 2, 2, v3.z());
gsl_linalg_LU_decomp(p_basisMatrix, p_perm, &s);
gsl_linalg_LU_invert(p_basisMatrix, p_perm, p_inverseMatrix);
o1.setX(gsl_matrix_get(p_inverseMatrix, 0, 0));
o1.setY(gsl_matrix_get(p_inverseMatrix, 1, 0));
o1.setZ(gsl_matrix_get(p_inverseMatrix, 2, 0));
o2.setX(gsl_matrix_get(p_inverseMatrix, 0, 1));
o2.setY(gsl_matrix_get(p_inverseMatrix, 1, 1));
o2.setZ(gsl_matrix_get(p_inverseMatrix, 2, 1));
o3.setX(gsl_matrix_get(p_inverseMatrix, 0, 2));
o3.setY(gsl_matrix_get(p_inverseMatrix, 1, 2));
o3.setZ(gsl_matrix_get(p_inverseMatrix, 2, 2));
gsl_permutation_free(p_perm);
gsl_matrix_free(p_basisMatrix);
gsl_matrix_free(p_inverseMatrix);
}
void Lattice::setSelectionRule(const ISelectionRule& p_selection_rule)
{
delete m_selection_rule;
......
......@@ -88,8 +88,7 @@ private:
const kvector_t rec2, const kvector_t rec3) const;
void computeReciprocalVectors() const;
static void computeInverseVectors(const kvector_t v1, const kvector_t v2, const kvector_t v3,
kvector_t o1, kvector_t o2, kvector_t o3);
ISelectionRule* m_selection_rule;
kvector_t m_a, m_b, m_c; //!< Basis vectors in real space
mutable kvector_t m_ra, m_rb, m_rc; //!< Cache of basis vectors in reciprocal space
......
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