Commit: 1d8136b2244e23760d755d77c85ff26785508a8e - MolDS (git)

Commit MetaInfo

• Revisión: 1d8136b2244e23760d755d77c85ff26785508a8e (tree)
• Tiempo: 2013-01-22 20:38:52
• Autor: Katsuhiko Nishimra <ktns.87@gmai...>
• Commiter: Katsuhiko Nishimra

Log Message

WIP on gdiisl: 7d2b4b1 tmp BFGS output SCF log

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• modified: src/wrappers/Blas.cpp

Diferencia incremental

--- a/src/wrappers/Blas.cpp
+++ b/src/wrappers/Blas.cpp
@@ -375,4 +375,46 @@ void Blas::Dgemm(bool isColumnMajorMatrixA,
 #endif
 }
 
+// matrixC = matrixA*matrixA^T
+//    matrixA: n*k-matrix
+//    matrixC: n*n-matrix,symmetric (Use the upper triangular part, and copy it to the lower part.)
+void Blas::Dsyrk(molds_blas_int n, molds_blas_int k,
+                 double const** matrixA,
+                 double ** matrixA)const{
+   molds_blas_int lda = n;
+   molds_blas_int ldc = n;
+   bool isMatrixATransposed = false;
+   bool isLowerTriangularPartMatrixCUsed = false;
+   this->Dsyrk(n, k, isMatrixATransposed, isLowerTriangularPartMatrixCUsed, alpha, matrixA, lda, matrixC, ldc);
+}
+
+// matrixC = alpha*matrixA*matrixA^T + beta*matrixC (isMatrixATransposed==false)
+//  or
+// matrixC = alpha*matrixA^T*matrixA + beta*matrixC (isMatrixATransposed==true)
+//    matrixA: n*k-matrix (isMatrixATransposed==false) or k*n-matrix (isMatrixATransposed==true)
+//    matrixC: n*n-matrix,symmetric (Use the upper triangular part, and copy it to the lower part.)
+void Blas::Dsyr(molds_blas_int n, molds_blas_int k,
+                bool isMatrixATransposed,
+                bool isLowerTriangularPartMatrixCUsed,
+                double alpha, double const* vectorX, molds_blas_int lda,
+                double beta,  double ** matrixC, molds_blas_int ldc)const{
+   double* c = &matrixC[0][0];
+#ifdef __INTEL_COMPILER
+   char uploA='L';
+   molds_blas_int lda = n;
+   dsyr(&uploA, &n, &alpha, vectorX, &incrementX, a, &lda);
+#else
+   double* x = const_cast<double*>(&vectorX[0]);
+   CBLAS_UPLO uploA=CblasUpper;
+   int lda = n;
+   cblas_dsyr(CblasRowMajor, uploA, n, alpha, x, incrementX, a, lda);
+#endif
+#pragma omp parallel for schedule(auto)
+   for(molds_blas_int i=0;i<n;i++){
+      for(molds_blas_int j=i+1;j<n;j++){
+         matrixA[j][i] = matrixA[i][j];
+      }
+   }
+}
+
 }