--- trunk/src/math/SphericalHarmonic.cpp	2006/09/25 22:08:33	1051
+++ branches/development/src/math/SphericalHarmonic.cpp	2013/05/17 14:41:42	1875
@@ -6,19 +6,10 @@
  * redistribute this software in source and binary code form, provided
  * that the following conditions are met:
  *
- * 1. Acknowledgement of the program authors must be made in any
- *    publication of scientific results based in part on use of the
- *    program.  An acceptable form of acknowledgement is citation of
- *    the article in which the program was described (Matthew
- *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
- *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
- *    Parallel Simulation Engine for Molecular Dynamics,"
- *    J. Comput. Chem. 26, pp. 252-271 (2005))
- *
- * 2. Redistributions of source code must retain the above copyright
+ * 1. Redistributions of source code must retain the above copyright
  *    notice, this list of conditions and the following disclaimer.
  *
- * 3. Redistributions in binary form must reproduce the above copyright
+ * 2. Redistributions in binary form must reproduce the above copyright
  *    notice, this list of conditions and the following disclaimer in the
  *    documentation and/or other materials provided with the
  *    distribution.
@@ -37,15 +28,26 @@
  * arising out of the use of or inability to use software, even if the
  * University of Notre Dame has been advised of the possibility of
  * such damages.
+ *
+ * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
+ * research, please cite the appropriate papers when you publish your
+ * work.  Good starting points are:
+ *                                                                      
+ * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
+ * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
+ * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
+ * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
+ * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
  */
- 
+
+#include "config.h"
 #include <stdio.h>
 #include <cmath>
 #include <limits>
 #include "math/SphericalHarmonic.hpp"
 #include "utils/simError.h"
 
-using namespace oopse;
+using namespace OpenMD;
 
 SphericalHarmonic::SphericalHarmonic() {
 }
@@ -66,9 +68,7 @@ RealType SphericalHarmonic::LegendreP(int l,int m, Rea
 //
 RealType SphericalHarmonic::LegendreP(int l,int m, RealType x) {
 
-  RealType temp1, temp2, temp3, temp4, result;
-  RealType temp5;
-  int i, ll;
+  RealType result;
   
   if (fabs(x) > 1.0) {
     printf("LegendreP: x out of range: l = %d\tm = %d\tx = %lf\n", l, m, x);
@@ -84,12 +84,13 @@ RealType SphericalHarmonic::LegendreP(int l,int m, Rea
     printf("LegendreP: m < 0: l = %d\tm = %d\tx = %lf\n", l, m, x);
     return std::numeric_limits <RealType>:: quiet_NaN();
   } else {
+    RealType temp1, temp2, temp3, temp4, temp5;
     temp3=1.0;
     
     if (m>0) {
       temp1=sqrt(1.0-pow(x,2));
       temp5 = 1.0;
-      for (i=1;i<=m;++i) {
+      for (int i=1;i<=m;++i) {
         temp3 *= -temp5*temp1;
         temp5 += 2.0;
       }
@@ -101,7 +102,7 @@ RealType SphericalHarmonic::LegendreP(int l,int m, Rea
       if (l==(m+1)) {
         result = temp4;
       } else {
-        for (ll=(m+2);ll<=l;++ll) {
+        for (int ll=(m+2);ll<=l;++ll) {
           temp2 = (x*(2.*ll-1.)*temp4-(ll+m-1.)*temp3)/(RealType)(ll-m);
           temp3=temp4;
           temp4=temp2;