Changes in src/helpers.cpp [112b09:986ed3]

File:

• src/helpers.cpp (modified) (2 diffs)

src/helpers.cpp

@@ -8 +8 @@
 #include "helpers.hpp"
 #include "Helpers/fast_functions.hpp"
+#include "verbose.hpp"
 #include "log.hpp"
-#include "memoryusageobserver.hpp"
+
+#include <iostream>
 
 /********************************************** helpful functions *********************************/
@@ -117 +119 @@
 };
 
-/** Blows the 6-dimensional \a cell_size array up to a full NDIM by NDIM matrix.
- * \param *symm 6-dim array of unique symmetric matrix components
- * \return allocated NDIM*NDIM array with the symmetric matrix
- */
-double * ReturnFullMatrixforSymmetric(const double * const symm)
-{
-  double *matrix = new double[NDIM * NDIM];
-  matrix[0] = symm[0];
-  matrix[1] = symm[1];
-  matrix[2] = symm[3];
-  matrix[3] = symm[1];
-  matrix[4] = symm[2];
-  matrix[5] = symm[4];
-  matrix[6] = symm[3];
-  matrix[7] = symm[4];
-  matrix[8] = symm[5];
-  return matrix;
-};
-
-/** Calculate the inverse of a 3x3 matrix.
- * \param *matrix NDIM_NDIM array
- */
-double * InverseMatrix( const double * const A)
-{
-  double *B = new double[NDIM * NDIM];
-  double detA = RDET3(A);
-  double detAReci;
-
-  for (int i=0;i<NDIM*NDIM;++i)
-    B[i] = 0.;
-  // calculate the inverse B
-  if (fabs(detA) > MYEPSILON) {;  // RDET3(A) yields precisely zero if A irregular
-    detAReci = 1./detA;
-    B[0] =  detAReci*RDET2(A[4],A[5],A[7],A[8]);    // A_11
-    B[1] = -detAReci*RDET2(A[1],A[2],A[7],A[8]);    // A_12
-    B[2] =  detAReci*RDET2(A[1],A[2],A[4],A[5]);    // A_13
-    B[3] = -detAReci*RDET2(A[3],A[5],A[6],A[8]);    // A_21
-    B[4] =  detAReci*RDET2(A[0],A[2],A[6],A[8]);    // A_22
-    B[5] = -detAReci*RDET2(A[0],A[2],A[3],A[5]);    // A_23
-    B[6] =  detAReci*RDET2(A[3],A[4],A[6],A[7]);    // A_31
-    B[7] = -detAReci*RDET2(A[0],A[1],A[6],A[7]);    // A_32
-    B[8] =  detAReci*RDET2(A[0],A[1],A[3],A[4]);    // A_33
-  }
-  return B;
-};
-
-
-
 /** Comparison function for GSL heapsort on distances in two molecules.
  * \param *a