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Comparing branches/development/src/nonbonded/SlaterIntegrals.hpp (file contents):
Revision 1766 by gezelter, Thu Jul 5 17:08:25 2012 UTC vs.
Revision 1808 by gezelter, Mon Oct 22 20:42:10 2012 UTC

# Line 85 | Line 85 | template <typename T> inline T mod(T x, T m)
85   *   \frac{\alpha^\nu}{\nu!}
86   * \f]
87   * @param n - principal quantum number
88 < * @param alpha - Slater exponent
88 > * @param a - Slater exponent
89   * @return the value of Rosen's A integral
90   * @note N. Rosen, Phys. Rev., 38 (1931), 255
91   */
# Line 125 | Line 125 | inline RealType RosenB(int n, RealType alpha)
125   {
126    RealType TheSum, Term;
127    RealType RosenB_, PSinhRosenA, PCoshRosenA, PHyperRosenA;
128 –  int nu;
128    bool IsPositive;
129    if (alpha != 0.)
130      {
# Line 206 | Line 205 | inline RealType sSTOCoulInt(RealType a, RealType b, in
205   */
206   inline RealType sSTOCoulInt(RealType a, RealType b, int m, int n, RealType R)
207   {
209 –  int nu, p;
208    RealType x, K2;
209    RealType Factor1, Factor2, Term, OneElectronTerm;
210    RealType eps, epsi;
# Line 512 | Line 510 | inline RealType sSTOOvIntGrad(RealType a, RealType b,
510  
511   /**
512   * @brief Calculates a Slater-type orbital exponent based on the hardness parameters
513 < * @param Hardness: chemical hardness in atomic units
513 > * @param hardness: chemical hardness in atomic units
514   * @param        n: principal quantum number
515   * @note Modified for use with OpenMD by Gezelter and Michalka.
516   */

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