--- trunk/OOPSE/libmdtools/SimInfo.cpp	2003/07/10 17:10:56	588
+++ trunk/OOPSE/libmdtools/SimInfo.cpp	2003/07/14 21:28:54	597
@@ -93,7 +93,7 @@ void SimInfo::setBoxM( double theBox[3][3] ){
     }
   }
 
-  setFortranBoxSize(FortranHmat, FortranHmatI, &orthoRhombic);
+  setFortranBoxSize(FortranHmat, FortranHmatInv, &orthoRhombic);
  
   smallestBoxL = boxLx;
   if (boxLy < smallestBoxL) smallestBoxL = boxLy;
@@ -163,7 +163,8 @@ void SimInfo::calcHmatInv( void ) {
 }
 
 void SimInfo::calcHmatInv( void ) {
-
+  
+  int i,j;
   double smallDiag;
   double tol;
   double sanity[3][3];
@@ -173,12 +174,6 @@ void SimInfo::calcHmatInv( void ) {
   // Check the inverse to make sure it is sane:
 
   matMul3( Hmat, HmatInv, sanity );
-
-  cerr << "sanity => \n" 
-       << sanity[0][0] << "\t" << sanity[0][1] << "\t" << sanity [0][2] << "\n"
-       << sanity[1][0] << "\t" << sanity[1][1] << "\t" << sanity [1][2] << "\n"
-       << sanity[2][0] << "\t" << sanity[2][1] << "\t" << sanity [2][2] 
-       << "\n";
     
   // check to see if Hmat is orthorhombic
   
@@ -271,7 +266,39 @@ void SimInfo::matVecMul3(double m[3][3], double inVec[
   outVec[1] = m[1][0]*a0 + m[1][1]*a1 + m[1][2]*a2;
   outVec[2] = m[2][0]*a0 + m[2][1]*a1 + m[2][2]*a2;
 }
+
+void SimInfo::transposeMat3(double in[3][3], double out[3][3]) {
+  double temp[3][3];
+  int i, j;
+
+  for (i = 0; i < 3; i++) {
+    for (j = 0; j < 3; j++) {
+      temp[j][i] = in[i][j];
+    }
+  }
+  for (i = 0; i < 3; i++) {
+    for (j = 0; j < 3; j++) {
+      out[i][j] = temp[i][j];
+    }
+  }
+}
   
+void SimInfo::printMat3(double A[3][3] ){
+
+  std::cerr 
+	    << "[ " << A[0][0] << ", " << A[0][1] << ", " << A[0][2] << " ]\n"
+	    << "[ " << A[1][0] << ", " << A[1][1] << ", " << A[1][2] << " ]\n"
+	    << "[ " << A[2][0] << ", " << A[2][1] << ", " << A[2][2] << " ]\n";
+}
+
+void SimInfo::printMat9(double A[9] ){
+
+  std::cerr 
+	    << "[ " << A[0] << ", " << A[1] << ", " << A[2] << " ]\n"
+	    << "[ " << A[3] << ", " << A[4] << ", " << A[5] << " ]\n"
+	    << "[ " << A[6] << ", " << A[7] << ", " << A[8] << " ]\n";
+}
+
 void SimInfo::calcBoxL( void ){
 
   double dx, dy, dz, dsq;