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root/OpenMD/branches/development/src/math/RealSphericalHarmonic.cpp
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Comparing trunk/src/math/RealSphericalHarmonic.cpp (file contents):
Revision 526 by chuckv, Wed May 11 23:15:05 2005 UTC vs.
Revision 963 by tim, Wed May 17 21:51:42 2006 UTC

# Line 49 | Line 49 | RealSphericalHarmonic::RealSphericalHarmonic() {
49   RealSphericalHarmonic::RealSphericalHarmonic() {
50   }
51  
52 < double RealSphericalHarmonic::getValueAt(double costheta, double phi) {
52 > RealType RealSphericalHarmonic::getValueAt(RealType costheta, RealType phi) {
53    
54 <  double p, phase;
54 >  RealType p, phase;
55    
56    // associated Legendre polynomial
57    p = LegendreP(L,M,costheta);
58  
59    if (functionType == RSH_SIN) {
60 <    phase = sin((double)M * phi);
60 >    phase = sin((RealType)M * phi);
61    } else {
62 <    phase = cos((double)M * phi);
62 >    phase = cos((RealType)M * phi);
63    }
64    
65    return coefficient*p*phase;
# Line 68 | Line 68 | double RealSphericalHarmonic::getValueAt(double costhe
68  
69   //---------------------------------------------------------------------------//
70   //
71 < // double LegendreP (int l, int m, double x);
71 > // RealType LegendreP (int l, int m, RealType x);
72   //
73   // Computes the value of the associated Legendre polynomial P_lm (x)
74   // of order l at a given point.
# Line 81 | Line 81 | double RealSphericalHarmonic::getValueAt(double costhe
81   //   value of the polynomial in x
82   //
83   //---------------------------------------------------------------------------//
84 < double RealSphericalHarmonic::LegendreP (int l, int m, double x) {
84 > RealType RealSphericalHarmonic::LegendreP (int l, int m, RealType x) {
85    // check parameters
86    if (m < 0 || m > l || fabs(x) > 1.0) {
87      printf("LegendreP got a bad argument: l = %d\tm = %d\tx = %lf\n", l, m, x);
88   //    return NAN;
89 <        return std::numeric_limits <double>:: quiet_NaN();
89 >        return std::numeric_limits <RealType>:: quiet_NaN();
90    }
91    
92 <  double pmm = 1.0;
92 >  RealType pmm = 1.0;
93    if (m > 0) {
94 <    double h = sqrt((1.0-x)*(1.0+x)),
94 >    RealType h = sqrt((1.0-x)*(1.0+x)),
95        f = 1.0;
96      for (int i = 1; i <= m; i++) {
97        pmm *= -f * h;
# Line 101 | Line 101 | double RealSphericalHarmonic::LegendreP (int l, int m,
101    if (l == m)
102      return pmm;
103    else {
104 <    double pmmp1 = x * (2 * m + 1) * pmm;
104 >    RealType pmmp1 = x * (2 * m + 1) * pmm;
105      if (l == (m+1))
106        return pmmp1;
107      else {
108 <      double pll = 0.0;
108 >      RealType pll = 0.0;
109        for (int ll = m+2; ll <= l; ll++) {
110          pll = (x * (2 * ll - 1) * pmmp1 - (ll + m - 1) * pmm) / (ll - m);
111          pmm = pmmp1;

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