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Corrected array initialisations.
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@ -18,15 +18,15 @@ bool WB2(double *Slater_inv, unsigned int Dim, double *Updates,
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std::cerr << "Called Woodbury 2x2 kernel" << std::endl;
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// Construct V from Updates_index
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unsigned int V[2 * Dim]{0}; // 2 x Dim matrix stored in row-major order
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unsigned int V[2 * Dim]; // 2 x Dim matrix stored in row-major order
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V[Updates_index[0] - 1] = 1;
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V[Dim + Updates_index[1] - 1] = 1;
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// Compute C
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double C[2 * Dim]{0};
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double C[2 * Dim];
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matMul2(Slater_inv, Updates, C, Dim, Dim, 2);
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// Compute B
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double B[4]{0};
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double B[4];
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matMul2(V, C, B, 2, Dim, 2);
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// Compute 1 + B
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B[0] += 1;
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@ -34,7 +34,7 @@ bool WB2(double *Slater_inv, unsigned int Dim, double *Updates,
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// Invert 1 + B with explicit formula for 2x2 inversion
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double idet = 1.0 / (B[0] * B[3] - B[1] * B[2]);
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double Binv[4]{0};
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double Binv[4];
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Binv[0] = idet * B[3];
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Binv[1] = -1.0 * idet * B[1];
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Binv[2] = -1.0 * idet * B[2];
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@ -48,11 +48,11 @@ bool WB2(double *Slater_inv, unsigned int Dim, double *Updates,
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}
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// Compute (S + U * V)^{-1} with Woobury identity
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double D[2 * Dim]{0};
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double D[2 * Dim];
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matMul2(V, Slater_inv, D, 2, Dim, Dim);
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double tmp[2 * Dim]{0};
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double tmp[2 * Dim];
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matMul2(Binv, D, tmp, 2, 2, Dim);
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double tmp2[Dim * Dim]{0};
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double tmp2[Dim * Dim];
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matMul2(C, tmp, tmp2, Dim, 2, Dim);
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for (unsigned int i = 0; i < Dim * Dim; i++) {
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Slater_inv[i] -= tmp2[i];
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@ -66,16 +66,16 @@ bool WB3(double *Slater_inv, unsigned int Dim, double *Updates,
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std::cerr << "Called Woodbury 3x3 kernel" << std::endl;
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// Construct V from Updates_index
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unsigned int V[3 * Dim]{0}; // 2 x Dim matrix stored in row-major order
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unsigned int V[3 * Dim]; // 2 x Dim matrix stored in row-major order
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V[Updates_index[0] - 1] = 1;
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V[Dim + Updates_index[1] - 1] = 1;
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V[2 * Dim + Updates_index[2] - 1] = 1;
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// Compute C
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double C[3 * Dim]{0};
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double C[3 * Dim];
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matMul2(Slater_inv, Updates, C, Dim, Dim, 3);
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// Compute B
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double B[9]{0};
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double B[9];
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matMul2(V, C, B, 3, Dim, 3);
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// Compute 1 + B
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B[0] += 1;
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@ -106,11 +106,11 @@ bool WB3(double *Slater_inv, unsigned int Dim, double *Updates,
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}
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// Compute (S + U * V)^{-1} with Woobury identity
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double D[3 * Dim]{0};
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double D[3 * Dim];
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matMul2(V, Slater_inv, D, 3, Dim, Dim);
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double tmp[3 * Dim]{0};
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double tmp[3 * Dim];
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matMul2(Binv, D, tmp, 3, 3, Dim);
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double tmp2[Dim * Dim]{0};
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double tmp2[Dim * Dim];
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matMul2(C, tmp, tmp2, Dim, 3, Dim);
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for (unsigned int i = 0; i < Dim * Dim; i++) {
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Slater_inv[i] -= tmp2[i];
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